From 924151d9f00a9fd8ae231fc75d61f5b4a176ecc1 Mon Sep 17 00:00:00 2001 From: ethanbass Date: Sun, 24 Nov 2024 02:16:37 +0000 Subject: [PATCH] =?UTF-8?q?Deploying=20to=20gh-pages=20from=20@=20ethanbas?= =?UTF-8?q?s/chromConverter@6f444a2e54457cf302011978246c858cfd9e5500=20?= =?UTF-8?q?=F0=9F=9A=80?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- 404.html | 4 +- LICENSE.html | 2 +- articles/index.html | 2 +- articles/plot_ms.html | 6 +- authors.html | 2 +- deps/data-deps.txt | 4 +- deps/font-awesome-6.5.2/css/all.css | 8028 +++++++++++++++++ deps/font-awesome-6.5.2/css/all.min.css | 9 + deps/font-awesome-6.5.2/css/v4-shims.css | 2194 +++++ deps/font-awesome-6.5.2/css/v4-shims.min.css | 6 + .../webfonts/fa-brands-400.ttf | Bin 0 -> 209128 bytes .../webfonts/fa-brands-400.woff2 | Bin 0 -> 117852 bytes .../webfonts/fa-regular-400.ttf | Bin 0 -> 67860 bytes .../webfonts/fa-regular-400.woff2 | Bin 0 -> 25392 bytes .../webfonts/fa-solid-900.ttf | Bin 0 -> 420332 bytes .../webfonts/fa-solid-900.woff2 | Bin 0 -> 156400 bytes .../webfonts/fa-v4compatibility.ttf | Bin 0 -> 10832 bytes .../webfonts/fa-v4compatibility.woff2 | Bin 0 -> 4792 bytes index.html | 4 +- news/index.html | 7 +- pkgdown.yml | 2 +- reference/call_entab.html | 2 +- reference/call_openchrom.html | 2 +- reference/call_rainbow.html | 2 +- reference/configure_openchrom.html | 2 +- reference/configure_python_environment.html | 2 +- reference/extract_metadata.html | 2 +- reference/index.html | 2 +- reference/read_agilent_d.html | 2 +- reference/read_agilent_dx.html | 2 +- reference/read_asm.html | 2 +- reference/read_cdf.html | 2 +- reference/read_chemstation_ch.html | 2 +- reference/read_chemstation_csv.html | 2 +- reference/read_chemstation_ms.html | 2 +- reference/read_chemstation_reports.html | 2 +- reference/read_chemstation_uv.html | 2 +- reference/read_chromeleon.html | 2 +- reference/read_chroms.html | 2 +- reference/read_mdf.html | 2 +- reference/read_mzml.html | 2 +- reference/read_peaklist.html | 2 +- reference/read_shimadzu.html | 2 +- reference/read_shimadzu_gcd.html | 2 +- reference/read_shimadzu_lcd.html | 2 +- reference/read_shimadzu_qgd.html | 2 +- reference/read_sz_lcd_2d.html | 2 +- reference/read_sz_lcd_3d.html | 2 +- reference/read_thermoraw.html | 2 +- reference/read_varian_peaklist.html | 2 +- reference/read_varian_sms.html | 2 +- reference/read_waters_arw.html | 2 +- reference/read_waters_raw.html | 2 +- reference/sp_converter.html | 2 +- reference/uv_converter.html | 2 +- reference/write_andi_chrom.html | 2 +- reference/write_chroms.html | 2 +- reference/write_mzml.html | 2 +- search.json | 2 +- 59 files changed, 10293 insertions(+), 53 deletions(-) create mode 100644 deps/font-awesome-6.5.2/css/all.css create mode 100644 deps/font-awesome-6.5.2/css/all.min.css create mode 100644 deps/font-awesome-6.5.2/css/v4-shims.css create mode 100644 deps/font-awesome-6.5.2/css/v4-shims.min.css create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-brands-400.ttf create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-brands-400.woff2 create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-regular-400.ttf create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-regular-400.woff2 create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-solid-900.ttf create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-solid-900.woff2 create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-v4compatibility.ttf create mode 100644 deps/font-awesome-6.5.2/webfonts/fa-v4compatibility.woff2 diff --git a/404.html b/404.html index 180b0ec..7aaa405 100644 --- a/404.html +++ b/404.html @@ -14,8 +14,8 @@ - - + + diff --git a/LICENSE.html b/LICENSE.html index b43a615..52064ad 100644 --- a/LICENSE.html +++ b/LICENSE.html @@ -1,5 +1,5 @@ -GNU General Public License • chromConverter +GNU General Public License • chromConverter Skip to contents diff --git a/articles/index.html b/articles/index.html index b000310..65387ee 100644 --- a/articles/index.html +++ b/articles/index.html @@ -1,5 +1,5 @@ -Articles • chromConverter +Articles • chromConverter Skip to contents diff --git a/articles/plot_ms.html b/articles/plot_ms.html index 26f634d..f1fcd4e 100644 --- a/articles/plot_ms.html +++ b/articles/plot_ms.html @@ -14,8 +14,8 @@ - - + + @@ -222,7 +222,7 @@

Session Information#> [25] cli_3.6.3 rlang_1.1.4 bit64_4.5.2 munsell_0.5.1 #> [29] withr_3.0.2 base64enc_0.1-3 cachem_1.1.0 yaml_2.3.10 #> [33] parallel_4.4.2 tools_4.4.2 dplyr_1.1.4 colorspace_2.1-1 -#> [37] here_1.0.1 reticulate_1.39.0 vctrs_0.6.5 R6_2.5.1 +#> [37] here_1.0.1 reticulate_1.40.0 vctrs_0.6.5 R6_2.5.1 #> [41] png_0.1-8 lifecycle_1.0.4 stringr_1.5.1 fs_1.6.5 #> [45] bit_4.5.0 ragg_1.3.3 pkgconfig_2.0.3 desc_1.4.3 #> [49] pkgdown_2.1.1 bslib_0.8.0 pillar_1.9.0 gtable_0.3.6 diff --git a/authors.html b/authors.html index d7910be..d66c91b 100644 --- a/authors.html +++ b/authors.html @@ -1,5 +1,5 @@ -Authors and Citation • chromConverter +Authors and Citation • chromConverter Skip to contents diff --git a/deps/data-deps.txt b/deps/data-deps.txt index 8aa49e2..ca4dfd9 100644 --- a/deps/data-deps.txt +++ b/deps/data-deps.txt @@ -2,8 +2,8 @@ - - + + diff --git a/deps/font-awesome-6.5.2/css/all.css b/deps/font-awesome-6.5.2/css/all.css new file mode 100644 index 0000000..151dd57 --- /dev/null +++ b/deps/font-awesome-6.5.2/css/all.css @@ -0,0 +1,8028 @@ +/*! + * Font Awesome Free 6.5.2 by @fontawesome - https://fontawesome.com + * License - https://fontawesome.com/license/free (Icons: CC BY 4.0, Fonts: SIL OFL 1.1, Code: MIT License) + * Copyright 2024 Fonticons, Inc. + */ +.fa { + font-family: var(--fa-style-family, "Font Awesome 6 Free"); + font-weight: var(--fa-style, 900); } + +.fa, +.fa-classic, +.fa-sharp, +.fas, +.fa-solid, +.far, +.fa-regular, +.fab, +.fa-brands { + -moz-osx-font-smoothing: grayscale; + -webkit-font-smoothing: antialiased; + display: var(--fa-display, inline-block); + font-style: normal; + font-variant: normal; + line-height: 1; + text-rendering: auto; } + +.fas, +.fa-classic, +.fa-solid, +.far, +.fa-regular { + font-family: 'Font Awesome 6 Free'; } + +.fab, +.fa-brands { + font-family: 'Font Awesome 6 Brands'; } + +.fa-1x { + font-size: 1em; } + +.fa-2x { + font-size: 2em; } + +.fa-3x { + font-size: 3em; } + +.fa-4x { + font-size: 4em; } + +.fa-5x { + font-size: 5em; } + +.fa-6x { + font-size: 6em; } + +.fa-7x { + font-size: 7em; } + +.fa-8x { + font-size: 8em; } + +.fa-9x { + font-size: 9em; } + +.fa-10x { + font-size: 10em; } + +.fa-2xs { + font-size: 0.625em; + line-height: 0.1em; + vertical-align: 0.225em; } + +.fa-xs { + font-size: 0.75em; + line-height: 0.08333em; + vertical-align: 0.125em; } + +.fa-sm { + font-size: 0.875em; + line-height: 0.07143em; + vertical-align: 0.05357em; } + +.fa-lg { + font-size: 1.25em; + line-height: 0.05em; + vertical-align: -0.075em; } + +.fa-xl { + font-size: 1.5em; + line-height: 0.04167em; + vertical-align: -0.125em; } + +.fa-2xl { + font-size: 2em; + line-height: 0.03125em; + vertical-align: -0.1875em; } + +.fa-fw { + text-align: center; + width: 1.25em; } + +.fa-ul { + list-style-type: none; + margin-left: var(--fa-li-margin, 2.5em); + padding-left: 0; } + .fa-ul > li { + position: relative; } + +.fa-li { + left: calc(var(--fa-li-width, 2em) * -1); + position: absolute; + text-align: center; + width: var(--fa-li-width, 2em); + line-height: inherit; } + +.fa-border { + border-color: var(--fa-border-color, #eee); + border-radius: var(--fa-border-radius, 0.1em); + border-style: var(--fa-border-style, solid); + border-width: var(--fa-border-width, 0.08em); + padding: var(--fa-border-padding, 0.2em 0.25em 0.15em); } + +.fa-pull-left { + float: left; + margin-right: var(--fa-pull-margin, 0.3em); } + +.fa-pull-right { + float: right; + margin-left: var(--fa-pull-margin, 0.3em); } + +.fa-beat { + -webkit-animation-name: fa-beat; + animation-name: fa-beat; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, ease-in-out); + animation-timing-function: var(--fa-animation-timing, ease-in-out); } + +.fa-bounce { + -webkit-animation-name: fa-bounce; + animation-name: fa-bounce; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, cubic-bezier(0.28, 0.84, 0.42, 1)); + animation-timing-function: var(--fa-animation-timing, cubic-bezier(0.28, 0.84, 0.42, 1)); } + +.fa-fade { + -webkit-animation-name: fa-fade; + animation-name: fa-fade; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, cubic-bezier(0.4, 0, 0.6, 1)); + animation-timing-function: var(--fa-animation-timing, cubic-bezier(0.4, 0, 0.6, 1)); } + +.fa-beat-fade { + -webkit-animation-name: fa-beat-fade; + animation-name: fa-beat-fade; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, cubic-bezier(0.4, 0, 0.6, 1)); + animation-timing-function: var(--fa-animation-timing, cubic-bezier(0.4, 0, 0.6, 1)); } + +.fa-flip { + -webkit-animation-name: fa-flip; + animation-name: fa-flip; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, ease-in-out); + animation-timing-function: var(--fa-animation-timing, ease-in-out); } + +.fa-shake { + -webkit-animation-name: fa-shake; + animation-name: fa-shake; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, linear); + animation-timing-function: var(--fa-animation-timing, linear); } + +.fa-spin { + -webkit-animation-name: fa-spin; + animation-name: fa-spin; + -webkit-animation-delay: var(--fa-animation-delay, 0s); + animation-delay: var(--fa-animation-delay, 0s); + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 2s); + animation-duration: var(--fa-animation-duration, 2s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, linear); + animation-timing-function: var(--fa-animation-timing, linear); } + +.fa-spin-reverse { + --fa-animation-direction: reverse; } + +.fa-pulse, +.fa-spin-pulse { + -webkit-animation-name: fa-spin; + animation-name: fa-spin; + -webkit-animation-direction: var(--fa-animation-direction, normal); + animation-direction: var(--fa-animation-direction, normal); + -webkit-animation-duration: var(--fa-animation-duration, 1s); + animation-duration: var(--fa-animation-duration, 1s); + -webkit-animation-iteration-count: var(--fa-animation-iteration-count, infinite); + animation-iteration-count: var(--fa-animation-iteration-count, infinite); + -webkit-animation-timing-function: var(--fa-animation-timing, steps(8)); + animation-timing-function: var(--fa-animation-timing, steps(8)); } + +@media (prefers-reduced-motion: reduce) { + .fa-beat, + .fa-bounce, + .fa-fade, + .fa-beat-fade, + .fa-flip, + .fa-pulse, + .fa-shake, + .fa-spin, + .fa-spin-pulse { + -webkit-animation-delay: -1ms; + animation-delay: -1ms; + -webkit-animation-duration: 1ms; + animation-duration: 1ms; + -webkit-animation-iteration-count: 1; + animation-iteration-count: 1; + -webkit-transition-delay: 0s; + transition-delay: 0s; + -webkit-transition-duration: 0s; + transition-duration: 0s; } } + +@-webkit-keyframes fa-beat { + 0%, 90% { + -webkit-transform: scale(1); + transform: scale(1); } + 45% { + -webkit-transform: scale(var(--fa-beat-scale, 1.25)); + transform: scale(var(--fa-beat-scale, 1.25)); } } + +@keyframes fa-beat { + 0%, 90% { + -webkit-transform: scale(1); + transform: scale(1); } + 45% { + -webkit-transform: scale(var(--fa-beat-scale, 1.25)); + transform: scale(var(--fa-beat-scale, 1.25)); } } + +@-webkit-keyframes fa-bounce { + 0% { + -webkit-transform: scale(1, 1) translateY(0); + transform: scale(1, 1) translateY(0); } + 10% { + -webkit-transform: scale(var(--fa-bounce-start-scale-x, 1.1), var(--fa-bounce-start-scale-y, 0.9)) translateY(0); + transform: scale(var(--fa-bounce-start-scale-x, 1.1), var(--fa-bounce-start-scale-y, 0.9)) translateY(0); } + 30% { + -webkit-transform: scale(var(--fa-bounce-jump-scale-x, 0.9), var(--fa-bounce-jump-scale-y, 1.1)) translateY(var(--fa-bounce-height, -0.5em)); + transform: scale(var(--fa-bounce-jump-scale-x, 0.9), var(--fa-bounce-jump-scale-y, 1.1)) translateY(var(--fa-bounce-height, -0.5em)); } + 50% { + -webkit-transform: scale(var(--fa-bounce-land-scale-x, 1.05), var(--fa-bounce-land-scale-y, 0.95)) translateY(0); + transform: scale(var(--fa-bounce-land-scale-x, 1.05), var(--fa-bounce-land-scale-y, 0.95)) translateY(0); } + 57% { + -webkit-transform: scale(1, 1) translateY(var(--fa-bounce-rebound, -0.125em)); + transform: scale(1, 1) translateY(var(--fa-bounce-rebound, -0.125em)); } + 64% { + -webkit-transform: scale(1, 1) translateY(0); + transform: scale(1, 1) translateY(0); } + 100% { + -webkit-transform: scale(1, 1) translateY(0); + transform: scale(1, 1) translateY(0); } } + +@keyframes fa-bounce { + 0% { + -webkit-transform: scale(1, 1) translateY(0); + transform: scale(1, 1) translateY(0); } + 10% { + -webkit-transform: scale(var(--fa-bounce-start-scale-x, 1.1), var(--fa-bounce-start-scale-y, 0.9)) translateY(0); + transform: scale(var(--fa-bounce-start-scale-x, 1.1), var(--fa-bounce-start-scale-y, 0.9)) translateY(0); } + 30% { + -webkit-transform: scale(var(--fa-bounce-jump-scale-x, 0.9), var(--fa-bounce-jump-scale-y, 1.1)) translateY(var(--fa-bounce-height, -0.5em)); + transform: scale(var(--fa-bounce-jump-scale-x, 0.9), var(--fa-bounce-jump-scale-y, 1.1)) translateY(var(--fa-bounce-height, -0.5em)); } + 50% { + -webkit-transform: scale(var(--fa-bounce-land-scale-x, 1.05), var(--fa-bounce-land-scale-y, 0.95)) translateY(0); + transform: scale(var(--fa-bounce-land-scale-x, 1.05), var(--fa-bounce-land-scale-y, 0.95)) translateY(0); } + 57% { + -webkit-transform: scale(1, 1) translateY(var(--fa-bounce-rebound, -0.125em)); + transform: scale(1, 1) translateY(var(--fa-bounce-rebound, -0.125em)); } + 64% { + -webkit-transform: scale(1, 1) translateY(0); + transform: scale(1, 1) translateY(0); } + 100% { + -webkit-transform: scale(1, 1) translateY(0); + transform: scale(1, 1) translateY(0); } } + +@-webkit-keyframes fa-fade { + 50% { + opacity: var(--fa-fade-opacity, 0.4); } } + +@keyframes fa-fade { + 50% { + opacity: var(--fa-fade-opacity, 0.4); } } + +@-webkit-keyframes fa-beat-fade { + 0%, 100% { + opacity: var(--fa-beat-fade-opacity, 0.4); + -webkit-transform: scale(1); + transform: scale(1); } + 50% { + opacity: 1; + -webkit-transform: scale(var(--fa-beat-fade-scale, 1.125)); + transform: scale(var(--fa-beat-fade-scale, 1.125)); } } + +@keyframes fa-beat-fade { + 0%, 100% { + opacity: var(--fa-beat-fade-opacity, 0.4); + -webkit-transform: scale(1); + transform: scale(1); } + 50% { + opacity: 1; + -webkit-transform: scale(var(--fa-beat-fade-scale, 1.125)); + transform: scale(var(--fa-beat-fade-scale, 1.125)); } } + +@-webkit-keyframes fa-flip { + 50% { + -webkit-transform: rotate3d(var(--fa-flip-x, 0), var(--fa-flip-y, 1), var(--fa-flip-z, 0), var(--fa-flip-angle, -180deg)); + transform: rotate3d(var(--fa-flip-x, 0), var(--fa-flip-y, 1), var(--fa-flip-z, 0), var(--fa-flip-angle, -180deg)); } } + +@keyframes fa-flip { + 50% { + -webkit-transform: rotate3d(var(--fa-flip-x, 0), var(--fa-flip-y, 1), var(--fa-flip-z, 0), var(--fa-flip-angle, -180deg)); + transform: rotate3d(var(--fa-flip-x, 0), var(--fa-flip-y, 1), var(--fa-flip-z, 0), var(--fa-flip-angle, -180deg)); } } + +@-webkit-keyframes fa-shake { + 0% { + -webkit-transform: rotate(-15deg); + transform: rotate(-15deg); } + 4% { + -webkit-transform: rotate(15deg); + transform: rotate(15deg); } + 8%, 24% { + -webkit-transform: rotate(-18deg); + transform: rotate(-18deg); } + 12%, 28% { + -webkit-transform: rotate(18deg); + transform: rotate(18deg); } + 16% { + -webkit-transform: rotate(-22deg); + transform: rotate(-22deg); } + 20% { + -webkit-transform: rotate(22deg); + transform: rotate(22deg); } + 32% { + -webkit-transform: rotate(-12deg); + transform: rotate(-12deg); } + 36% { + -webkit-transform: rotate(12deg); + transform: rotate(12deg); } + 40%, 100% { + -webkit-transform: rotate(0deg); + transform: rotate(0deg); } } + +@keyframes fa-shake { + 0% { + -webkit-transform: rotate(-15deg); + transform: rotate(-15deg); } + 4% { + -webkit-transform: rotate(15deg); + transform: rotate(15deg); } + 8%, 24% { + -webkit-transform: rotate(-18deg); + transform: rotate(-18deg); } + 12%, 28% { + -webkit-transform: rotate(18deg); + transform: rotate(18deg); } + 16% { + -webkit-transform: rotate(-22deg); + transform: rotate(-22deg); } + 20% { + -webkit-transform: rotate(22deg); + transform: rotate(22deg); } + 32% { + -webkit-transform: rotate(-12deg); + transform: rotate(-12deg); } + 36% { + -webkit-transform: rotate(12deg); + transform: rotate(12deg); } + 40%, 100% { + -webkit-transform: rotate(0deg); + transform: rotate(0deg); } } + +@-webkit-keyframes fa-spin { + 0% { + -webkit-transform: rotate(0deg); + transform: rotate(0deg); } + 100% { + -webkit-transform: rotate(360deg); + transform: rotate(360deg); } } + +@keyframes fa-spin { + 0% { + -webkit-transform: rotate(0deg); + transform: rotate(0deg); } + 100% { + -webkit-transform: rotate(360deg); + transform: rotate(360deg); } } + +.fa-rotate-90 { + -webkit-transform: rotate(90deg); + transform: rotate(90deg); } + +.fa-rotate-180 { + -webkit-transform: rotate(180deg); + transform: rotate(180deg); } + +.fa-rotate-270 { + -webkit-transform: rotate(270deg); + transform: rotate(270deg); } + +.fa-flip-horizontal { + -webkit-transform: scale(-1, 1); + transform: scale(-1, 1); } + +.fa-flip-vertical { + -webkit-transform: scale(1, -1); + transform: scale(1, -1); } + +.fa-flip-both, +.fa-flip-horizontal.fa-flip-vertical { + -webkit-transform: scale(-1, -1); + transform: scale(-1, -1); } + +.fa-rotate-by { + -webkit-transform: rotate(var(--fa-rotate-angle, 0)); + transform: rotate(var(--fa-rotate-angle, 0)); } + +.fa-stack { + display: inline-block; + height: 2em; + line-height: 2em; + position: relative; + vertical-align: middle; + width: 2.5em; } + +.fa-stack-1x, +.fa-stack-2x { + left: 0; + position: absolute; + text-align: center; + width: 100%; + z-index: var(--fa-stack-z-index, auto); } + +.fa-stack-1x { + line-height: inherit; } + +.fa-stack-2x { + font-size: 2em; } + +.fa-inverse { + color: var(--fa-inverse, #fff); } + +/* Font Awesome uses the Unicode Private Use Area (PUA) to ensure screen +readers do not read off random characters that represent icons */ + +.fa-0::before { + content: "\30"; } + +.fa-1::before { + content: "\31"; } + +.fa-2::before { + content: "\32"; } + +.fa-3::before { + content: "\33"; } + +.fa-4::before { + content: "\34"; } + +.fa-5::before { + content: "\35"; } + +.fa-6::before { + content: "\36"; } + +.fa-7::before { + content: "\37"; } + +.fa-8::before { + content: "\38"; } + +.fa-9::before { + content: "\39"; } + +.fa-fill-drip::before { + content: "\f576"; } + +.fa-arrows-to-circle::before { + content: "\e4bd"; } + +.fa-circle-chevron-right::before { + content: "\f138"; } + +.fa-chevron-circle-right::before { + content: "\f138"; } + +.fa-at::before { + content: "\40"; } + +.fa-trash-can::before { + content: "\f2ed"; } + +.fa-trash-alt::before { + content: "\f2ed"; } + +.fa-text-height::before { + content: "\f034"; } + +.fa-user-xmark::before { + content: "\f235"; } + +.fa-user-times::before { + content: "\f235"; } + +.fa-stethoscope::before { + content: "\f0f1"; } + +.fa-message::before { + content: "\f27a"; } + +.fa-comment-alt::before { + content: "\f27a"; } + +.fa-info::before { + content: "\f129"; } + +.fa-down-left-and-up-right-to-center::before { + content: "\f422"; } + +.fa-compress-alt::before { + content: "\f422"; } + +.fa-explosion::before { + content: "\e4e9"; } + +.fa-file-lines::before { + content: "\f15c"; } + +.fa-file-alt::before { + content: "\f15c"; } + +.fa-file-text::before { + content: "\f15c"; } + +.fa-wave-square::before { + content: "\f83e"; } + +.fa-ring::before { + content: "\f70b"; } + +.fa-building-un::before { + content: "\e4d9"; } + +.fa-dice-three::before { + content: "\f527"; } + +.fa-calendar-days::before { + content: "\f073"; } + +.fa-calendar-alt::before { + content: "\f073"; } + +.fa-anchor-circle-check::before { + content: "\e4aa"; } + +.fa-building-circle-arrow-right::before { + content: "\e4d1"; } + +.fa-volleyball::before { + content: "\f45f"; } + +.fa-volleyball-ball::before { + content: "\f45f"; } + +.fa-arrows-up-to-line::before { + content: "\e4c2"; } + +.fa-sort-down::before { + content: "\f0dd"; } + +.fa-sort-desc::before { + content: "\f0dd"; } + +.fa-circle-minus::before { + content: "\f056"; } + +.fa-minus-circle::before { + content: "\f056"; } + +.fa-door-open::before { + content: "\f52b"; } + +.fa-right-from-bracket::before { + content: "\f2f5"; } + +.fa-sign-out-alt::before { + content: "\f2f5"; } + +.fa-atom::before { + content: "\f5d2"; } + +.fa-soap::before { + content: "\e06e"; } + +.fa-icons::before { + content: "\f86d"; } + +.fa-heart-music-camera-bolt::before { + content: "\f86d"; } + +.fa-microphone-lines-slash::before { + content: "\f539"; } + +.fa-microphone-alt-slash::before { + content: "\f539"; } + +.fa-bridge-circle-check::before { + content: "\e4c9"; } + +.fa-pump-medical::before { + content: "\e06a"; } + +.fa-fingerprint::before { + content: "\f577"; } + +.fa-hand-point-right::before { + content: "\f0a4"; } + +.fa-magnifying-glass-location::before { + content: "\f689"; } + +.fa-search-location::before { + content: "\f689"; } + +.fa-forward-step::before { + content: "\f051"; } + +.fa-step-forward::before { + content: "\f051"; } + +.fa-face-smile-beam::before { + content: "\f5b8"; } + +.fa-smile-beam::before { + content: "\f5b8"; } + +.fa-flag-checkered::before { + content: "\f11e"; } + +.fa-football::before { + content: "\f44e"; } + +.fa-football-ball::before { + content: "\f44e"; } + +.fa-school-circle-exclamation::before { + content: "\e56c"; } + +.fa-crop::before { + content: "\f125"; } + +.fa-angles-down::before { + content: "\f103"; } + +.fa-angle-double-down::before { + content: "\f103"; } + +.fa-users-rectangle::before { + content: "\e594"; } + +.fa-people-roof::before { + content: "\e537"; } + +.fa-people-line::before { + content: "\e534"; } + +.fa-beer-mug-empty::before { + content: "\f0fc"; } + +.fa-beer::before { + content: "\f0fc"; } + +.fa-diagram-predecessor::before { + content: "\e477"; } + +.fa-arrow-up-long::before { + content: "\f176"; } + +.fa-long-arrow-up::before { + content: "\f176"; } + +.fa-fire-flame-simple::before { + content: "\f46a"; } + +.fa-burn::before { + content: "\f46a"; } + +.fa-person::before { + content: "\f183"; } + +.fa-male::before { + content: "\f183"; } + +.fa-laptop::before { + content: "\f109"; } + +.fa-file-csv::before { + content: "\f6dd"; } + +.fa-menorah::before { + content: "\f676"; } + +.fa-truck-plane::before { + content: "\e58f"; } + +.fa-record-vinyl::before { + content: "\f8d9"; } + +.fa-face-grin-stars::before { + content: "\f587"; } + +.fa-grin-stars::before { + content: "\f587"; } + +.fa-bong::before { + content: "\f55c"; } + +.fa-spaghetti-monster-flying::before { + content: "\f67b"; } + +.fa-pastafarianism::before { + content: "\f67b"; } + +.fa-arrow-down-up-across-line::before { + content: "\e4af"; } + +.fa-spoon::before { + content: "\f2e5"; } + +.fa-utensil-spoon::before { + content: "\f2e5"; } + +.fa-jar-wheat::before { + content: "\e517"; } + +.fa-envelopes-bulk::before { + content: "\f674"; } + +.fa-mail-bulk::before { + content: "\f674"; } + +.fa-file-circle-exclamation::before { + content: "\e4eb"; } + +.fa-circle-h::before { + content: "\f47e"; } + +.fa-hospital-symbol::before { + content: "\f47e"; } + +.fa-pager::before { + content: "\f815"; } + +.fa-address-book::before { + content: "\f2b9"; } + +.fa-contact-book::before { + content: "\f2b9"; } + +.fa-strikethrough::before { + content: "\f0cc"; } + +.fa-k::before { + content: "\4b"; } + +.fa-landmark-flag::before { + content: "\e51c"; } + +.fa-pencil::before { + content: "\f303"; } + +.fa-pencil-alt::before { + content: "\f303"; } + +.fa-backward::before { + content: "\f04a"; } + +.fa-caret-right::before { + content: "\f0da"; } + +.fa-comments::before { + content: "\f086"; } + +.fa-paste::before { + content: "\f0ea"; } + +.fa-file-clipboard::before { + content: "\f0ea"; } + +.fa-code-pull-request::before { + content: "\e13c"; } + +.fa-clipboard-list::before { + content: "\f46d"; } + +.fa-truck-ramp-box::before { + content: "\f4de"; } + +.fa-truck-loading::before { + content: "\f4de"; } + +.fa-user-check::before { + content: "\f4fc"; } + +.fa-vial-virus::before { + content: "\e597"; } + +.fa-sheet-plastic::before { + content: "\e571"; } + +.fa-blog::before { + content: "\f781"; } + +.fa-user-ninja::before { + content: "\f504"; } + +.fa-person-arrow-up-from-line::before { + content: "\e539"; } + +.fa-scroll-torah::before { + content: "\f6a0"; } + +.fa-torah::before { + content: "\f6a0"; } + +.fa-broom-ball::before { + content: "\f458"; } + +.fa-quidditch::before { + content: "\f458"; } + +.fa-quidditch-broom-ball::before { + content: "\f458"; } + +.fa-toggle-off::before { + content: "\f204"; } + +.fa-box-archive::before { + content: "\f187"; } + +.fa-archive::before { + content: "\f187"; } + +.fa-person-drowning::before { + content: "\e545"; } + +.fa-arrow-down-9-1::before { + content: "\f886"; } + +.fa-sort-numeric-desc::before { + content: "\f886"; } + +.fa-sort-numeric-down-alt::before { + content: "\f886"; } + +.fa-face-grin-tongue-squint::before { + content: "\f58a"; } + +.fa-grin-tongue-squint::before { + content: "\f58a"; } + +.fa-spray-can::before { + content: "\f5bd"; } + +.fa-truck-monster::before { + content: "\f63b"; } + +.fa-w::before { + content: "\57"; } + +.fa-earth-africa::before { + content: "\f57c"; } + +.fa-globe-africa::before { + content: "\f57c"; } + +.fa-rainbow::before { + content: "\f75b"; } + +.fa-circle-notch::before { + content: "\f1ce"; } + +.fa-tablet-screen-button::before { + content: "\f3fa"; } + +.fa-tablet-alt::before { + content: "\f3fa"; } + +.fa-paw::before { + content: "\f1b0"; } + +.fa-cloud::before { + content: "\f0c2"; } + +.fa-trowel-bricks::before { + content: "\e58a"; } + +.fa-face-flushed::before { + content: "\f579"; } + +.fa-flushed::before { + content: "\f579"; } + +.fa-hospital-user::before { + content: "\f80d"; } + +.fa-tent-arrow-left-right::before { + content: "\e57f"; } + +.fa-gavel::before { + content: "\f0e3"; } + +.fa-legal::before { + content: "\f0e3"; } + +.fa-binoculars::before { + content: "\f1e5"; } + +.fa-microphone-slash::before { + content: "\f131"; } + +.fa-box-tissue::before { + content: "\e05b"; } + +.fa-motorcycle::before { + content: "\f21c"; } + +.fa-bell-concierge::before { + content: "\f562"; } + +.fa-concierge-bell::before { + content: "\f562"; } + +.fa-pen-ruler::before { + content: "\f5ae"; } + +.fa-pencil-ruler::before { + content: "\f5ae"; } + +.fa-people-arrows::before { + content: "\e068"; } + +.fa-people-arrows-left-right::before { + content: "\e068"; } + +.fa-mars-and-venus-burst::before { + content: "\e523"; } + +.fa-square-caret-right::before { + content: "\f152"; } + +.fa-caret-square-right::before { + content: "\f152"; } + +.fa-scissors::before { + content: "\f0c4"; } + +.fa-cut::before { + content: "\f0c4"; } + +.fa-sun-plant-wilt::before { + content: "\e57a"; } + +.fa-toilets-portable::before { + content: "\e584"; } + +.fa-hockey-puck::before { + content: "\f453"; } + +.fa-table::before { + content: "\f0ce"; } + +.fa-magnifying-glass-arrow-right::before { + content: "\e521"; } + +.fa-tachograph-digital::before { + content: "\f566"; } + +.fa-digital-tachograph::before { + content: "\f566"; } + +.fa-users-slash::before { + content: "\e073"; } + +.fa-clover::before { + content: "\e139"; } + +.fa-reply::before { + content: "\f3e5"; } + +.fa-mail-reply::before { + content: "\f3e5"; } + +.fa-star-and-crescent::before { + content: "\f699"; } + +.fa-house-fire::before { + content: "\e50c"; } + +.fa-square-minus::before { + content: "\f146"; } + +.fa-minus-square::before { + content: "\f146"; } + +.fa-helicopter::before { + content: "\f533"; } + +.fa-compass::before { + content: "\f14e"; } + +.fa-square-caret-down::before { + content: "\f150"; } + +.fa-caret-square-down::before { + content: "\f150"; } + +.fa-file-circle-question::before { + content: "\e4ef"; } + +.fa-laptop-code::before { + content: "\f5fc"; } + +.fa-swatchbook::before { + content: "\f5c3"; } + +.fa-prescription-bottle::before { + content: "\f485"; } + +.fa-bars::before { + content: "\f0c9"; } + +.fa-navicon::before { + content: "\f0c9"; } + +.fa-people-group::before { + content: "\e533"; } + +.fa-hourglass-end::before { + content: "\f253"; } + +.fa-hourglass-3::before { + content: "\f253"; } + +.fa-heart-crack::before { + content: "\f7a9"; } + +.fa-heart-broken::before { + content: "\f7a9"; } + +.fa-square-up-right::before { + content: "\f360"; } + +.fa-external-link-square-alt::before { + content: "\f360"; } + +.fa-face-kiss-beam::before { + content: "\f597"; } + +.fa-kiss-beam::before { + content: "\f597"; } + +.fa-film::before { + content: "\f008"; } + +.fa-ruler-horizontal::before { + content: "\f547"; } + +.fa-people-robbery::before { + content: "\e536"; } + +.fa-lightbulb::before { + content: "\f0eb"; } + +.fa-caret-left::before { + content: "\f0d9"; } + +.fa-circle-exclamation::before { + content: "\f06a"; } + +.fa-exclamation-circle::before { + content: "\f06a"; } + +.fa-school-circle-xmark::before { + content: "\e56d"; } + +.fa-arrow-right-from-bracket::before { + content: "\f08b"; } + +.fa-sign-out::before { + content: "\f08b"; } + +.fa-circle-chevron-down::before { + content: "\f13a"; } + +.fa-chevron-circle-down::before { + content: "\f13a"; } + +.fa-unlock-keyhole::before { + content: "\f13e"; } + +.fa-unlock-alt::before { + content: "\f13e"; } + +.fa-cloud-showers-heavy::before { + content: "\f740"; } + +.fa-headphones-simple::before { + content: "\f58f"; } + +.fa-headphones-alt::before { + content: "\f58f"; } + +.fa-sitemap::before { + content: "\f0e8"; } + +.fa-circle-dollar-to-slot::before { + content: "\f4b9"; } + +.fa-donate::before { + content: "\f4b9"; } + +.fa-memory::before { + content: "\f538"; } + +.fa-road-spikes::before { + content: "\e568"; } + +.fa-fire-burner::before { + content: "\e4f1"; } + +.fa-flag::before { + content: "\f024"; } + +.fa-hanukiah::before { + content: "\f6e6"; } + +.fa-feather::before { + content: "\f52d"; } + +.fa-volume-low::before { + content: "\f027"; } + +.fa-volume-down::before { + content: "\f027"; } + +.fa-comment-slash::before { + content: "\f4b3"; } + +.fa-cloud-sun-rain::before { + content: "\f743"; } + +.fa-compress::before { + content: "\f066"; } + +.fa-wheat-awn::before { + content: "\e2cd"; } + +.fa-wheat-alt::before { + content: "\e2cd"; } + +.fa-ankh::before { + content: "\f644"; } + +.fa-hands-holding-child::before { + content: "\e4fa"; } + +.fa-asterisk::before { + content: "\2a"; } + +.fa-square-check::before { + content: "\f14a"; } + +.fa-check-square::before { + content: "\f14a"; } + +.fa-peseta-sign::before { + content: "\e221"; } + +.fa-heading::before { + content: "\f1dc"; } + +.fa-header::before { + content: "\f1dc"; } + +.fa-ghost::before { + content: "\f6e2"; } + +.fa-list::before { + content: "\f03a"; } + +.fa-list-squares::before { + content: "\f03a"; } + +.fa-square-phone-flip::before { + content: "\f87b"; } + +.fa-phone-square-alt::before { + content: "\f87b"; } + +.fa-cart-plus::before { + content: "\f217"; } + +.fa-gamepad::before { + content: "\f11b"; } + +.fa-circle-dot::before { + content: "\f192"; } + +.fa-dot-circle::before { + content: "\f192"; } + +.fa-face-dizzy::before { + content: "\f567"; } + +.fa-dizzy::before { + content: "\f567"; } + +.fa-egg::before { + content: "\f7fb"; } + +.fa-house-medical-circle-xmark::before { + content: "\e513"; } + +.fa-campground::before { + content: "\f6bb"; } + +.fa-folder-plus::before { + content: "\f65e"; } + +.fa-futbol::before { + content: "\f1e3"; } + +.fa-futbol-ball::before { + content: "\f1e3"; } + +.fa-soccer-ball::before { + content: "\f1e3"; } + +.fa-paintbrush::before { + content: "\f1fc"; } + +.fa-paint-brush::before { + content: "\f1fc"; } + +.fa-lock::before { + content: "\f023"; } + +.fa-gas-pump::before { + content: "\f52f"; } + +.fa-hot-tub-person::before { + content: "\f593"; } + +.fa-hot-tub::before { + content: "\f593"; } + +.fa-map-location::before { + content: "\f59f"; } + +.fa-map-marked::before { + content: "\f59f"; } + +.fa-house-flood-water::before { + content: "\e50e"; } + +.fa-tree::before { + content: "\f1bb"; } + +.fa-bridge-lock::before { + content: "\e4cc"; } + +.fa-sack-dollar::before { + content: "\f81d"; } + +.fa-pen-to-square::before { + content: "\f044"; } + +.fa-edit::before { + content: "\f044"; } + +.fa-car-side::before { + content: "\f5e4"; } + +.fa-share-nodes::before { + content: "\f1e0"; } + +.fa-share-alt::before { + content: "\f1e0"; } + +.fa-heart-circle-minus::before { + content: "\e4ff"; } + +.fa-hourglass-half::before { + content: "\f252"; } + +.fa-hourglass-2::before { + content: "\f252"; } + +.fa-microscope::before { + content: "\f610"; } + +.fa-sink::before { + content: "\e06d"; } + +.fa-bag-shopping::before { + content: "\f290"; } + +.fa-shopping-bag::before { + content: "\f290"; } + +.fa-arrow-down-z-a::before { + content: "\f881"; } + +.fa-sort-alpha-desc::before { + content: "\f881"; } + +.fa-sort-alpha-down-alt::before { + content: "\f881"; } + +.fa-mitten::before { + content: "\f7b5"; } + +.fa-person-rays::before { + content: "\e54d"; } + +.fa-users::before { + content: "\f0c0"; } + +.fa-eye-slash::before { + content: "\f070"; } + +.fa-flask-vial::before { + content: "\e4f3"; } + +.fa-hand::before { + content: "\f256"; } + +.fa-hand-paper::before { + content: "\f256"; } + +.fa-om::before { + content: "\f679"; } + +.fa-worm::before { + content: "\e599"; } + +.fa-house-circle-xmark::before { + content: "\e50b"; } + +.fa-plug::before { + content: "\f1e6"; } + +.fa-chevron-up::before { + content: "\f077"; } + +.fa-hand-spock::before { + content: "\f259"; } + +.fa-stopwatch::before { + content: "\f2f2"; } + +.fa-face-kiss::before { + content: "\f596"; } + +.fa-kiss::before { + content: "\f596"; } + +.fa-bridge-circle-xmark::before { + content: "\e4cb"; } + +.fa-face-grin-tongue::before { + content: "\f589"; } + +.fa-grin-tongue::before { + content: "\f589"; } + +.fa-chess-bishop::before { + content: "\f43a"; } + +.fa-face-grin-wink::before { + content: "\f58c"; } + +.fa-grin-wink::before { + content: "\f58c"; } + +.fa-ear-deaf::before { + content: "\f2a4"; } + +.fa-deaf::before { + content: "\f2a4"; } + +.fa-deafness::before { + content: "\f2a4"; } + +.fa-hard-of-hearing::before { + content: "\f2a4"; } + +.fa-road-circle-check::before { + content: "\e564"; } + +.fa-dice-five::before { + content: "\f523"; } + 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content: "\e4e3"; } + +.fa-panorama::before { + content: "\e209"; } + +.fa-comment-medical::before { + content: "\f7f5"; } + +.fa-teeth-open::before { + content: "\f62f"; } + +.fa-file-circle-minus::before { + content: "\e4ed"; } + +.fa-tags::before { + content: "\f02c"; } + +.fa-wine-glass::before { + content: "\f4e3"; } + +.fa-forward-fast::before { + content: "\f050"; } + +.fa-fast-forward::before { + content: "\f050"; } + +.fa-face-meh-blank::before { + content: "\f5a4"; } + +.fa-meh-blank::before { + content: "\f5a4"; } + +.fa-square-parking::before { + content: "\f540"; } + +.fa-parking::before { + content: "\f540"; } + +.fa-house-signal::before { + content: "\e012"; } + +.fa-bars-progress::before { + content: "\f828"; } + +.fa-tasks-alt::before { + content: "\f828"; } + +.fa-faucet-drip::before { + content: "\e006"; } + +.fa-cart-flatbed::before { + content: "\f474"; } + +.fa-dolly-flatbed::before { + content: "\f474"; } + +.fa-ban-smoking::before { + content: "\f54d"; } + 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content: "\f012"; } + +.fa-signal-5::before { + content: "\f012"; } + +.fa-signal-perfect::before { + content: "\f012"; } + +.fa-bus::before { + content: "\f207"; } + +.fa-heart-circle-xmark::before { + content: "\e501"; } + +.fa-house-chimney::before { + content: "\e3af"; } + +.fa-home-lg::before { + content: "\e3af"; } + +.fa-window-maximize::before { + content: "\f2d0"; } + +.fa-face-frown::before { + content: "\f119"; } + +.fa-frown::before { + content: "\f119"; } + +.fa-prescription::before { + content: "\f5b1"; } + +.fa-shop::before { + content: "\f54f"; } + +.fa-store-alt::before { + content: "\f54f"; } + +.fa-floppy-disk::before { + content: "\f0c7"; } + +.fa-save::before { + content: "\f0c7"; } + +.fa-vihara::before { + content: "\f6a7"; } + +.fa-scale-unbalanced::before { + content: "\f515"; } + +.fa-balance-scale-left::before { + content: "\f515"; } + +.fa-sort-up::before { + content: "\f0de"; } + +.fa-sort-asc::before { + content: "\f0de"; } + +.fa-comment-dots::before { + 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content: "\f127"; } + +.fa-clone::before { + content: "\f24d"; } + +.fa-person-walking-arrow-loop-left::before { + content: "\e551"; } + +.fa-arrow-up-z-a::before { + content: "\f882"; } + +.fa-sort-alpha-up-alt::before { + content: "\f882"; } + +.fa-fire-flame-curved::before { + content: "\f7e4"; } + +.fa-fire-alt::before { + content: "\f7e4"; } + +.fa-tornado::before { + content: "\f76f"; } + +.fa-file-circle-plus::before { + content: "\e494"; } + +.fa-book-quran::before { + content: "\f687"; } + +.fa-quran::before { + content: "\f687"; } + +.fa-anchor::before { + content: "\f13d"; } + +.fa-border-all::before { + content: "\f84c"; } + +.fa-face-angry::before { + content: "\f556"; } + +.fa-angry::before { + content: "\f556"; } + +.fa-cookie-bite::before { + content: "\f564"; } + +.fa-arrow-trend-down::before { + content: "\e097"; } + +.fa-rss::before { + content: "\f09e"; } + +.fa-feed::before { + content: "\f09e"; } + +.fa-draw-polygon::before { + content: "\f5ee"; } + 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content: "\f3ca"; } + +.fa-qq:before { + content: "\f1d6"; } + +.fa-orcid:before { + content: "\f8d2"; } + +.fa-java:before { + content: "\f4e4"; } + +.fa-invision:before { + content: "\f7b0"; } + +.fa-creative-commons-pd-alt:before { + content: "\f4ed"; } + +.fa-centercode:before { + content: "\f380"; } + +.fa-glide-g:before { + content: "\f2a6"; } + +.fa-drupal:before { + content: "\f1a9"; } + +.fa-jxl:before { + content: "\e67b"; } + +.fa-hire-a-helper:before { + content: "\f3b0"; } + +.fa-creative-commons-by:before { + content: "\f4e7"; } + +.fa-unity:before { + content: "\e049"; } + +.fa-whmcs:before { + content: "\f40d"; } + +.fa-rocketchat:before { + content: "\f3e8"; } + +.fa-vk:before { + content: "\f189"; } + +.fa-untappd:before { + content: "\f405"; } + +.fa-mailchimp:before { + content: "\f59e"; } + +.fa-css3-alt:before { + content: "\f38b"; } + +.fa-square-reddit:before { + content: "\f1a2"; } + +.fa-reddit-square:before { + content: "\f1a2"; } + +.fa-vimeo-v:before { + content: "\f27d"; } + +.fa-contao:before { + content: "\f26d"; } + +.fa-square-font-awesome:before { + content: "\e5ad"; } + +.fa-deskpro:before { + content: "\f38f"; } + +.fa-brave:before { + content: "\e63c"; } + +.fa-sistrix:before { + content: "\f3ee"; } + +.fa-square-instagram:before { + content: "\e055"; } + +.fa-instagram-square:before { + content: "\e055"; } + +.fa-battle-net:before { + content: "\f835"; } + +.fa-the-red-yeti:before { + content: "\f69d"; } + +.fa-square-hacker-news:before { + content: "\f3af"; } + +.fa-hacker-news-square:before { + content: "\f3af"; } + +.fa-edge:before { + content: "\f282"; } + +.fa-threads:before { + content: "\e618"; } + +.fa-napster:before { + content: "\f3d2"; } + +.fa-square-snapchat:before { + content: "\f2ad"; } + +.fa-snapchat-square:before { + content: "\f2ad"; } + +.fa-google-plus-g:before { + content: "\f0d5"; } + +.fa-artstation:before { + content: "\f77a"; } + +.fa-markdown:before { + content: "\f60f"; } + +.fa-sourcetree:before { + content: "\f7d3"; } + +.fa-google-plus:before { + content: "\f2b3"; } + +.fa-diaspora:before { + content: "\f791"; } + +.fa-foursquare:before { + content: "\f180"; } + +.fa-stack-overflow:before { + content: "\f16c"; } + +.fa-github-alt:before { + content: "\f113"; } + +.fa-phoenix-squadron:before { + content: "\f511"; } + +.fa-pagelines:before { + content: "\f18c"; } + +.fa-algolia:before { + content: "\f36c"; } + +.fa-red-river:before { + content: "\f3e3"; } + +.fa-creative-commons-sa:before { + content: "\f4ef"; } + +.fa-safari:before { + content: "\f267"; } + +.fa-google:before { + content: "\f1a0"; } + +.fa-square-font-awesome-stroke:before { + content: "\f35c"; } + +.fa-font-awesome-alt:before { + content: "\f35c"; } + +.fa-atlassian:before { + content: "\f77b"; } + +.fa-linkedin-in:before { + content: "\f0e1"; } + +.fa-digital-ocean:before { + content: "\f391"; } + +.fa-nimblr:before { + content: "\f5a8"; } + +.fa-chromecast:before { + content: "\f838"; } + 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+ +.fa.fa-twitter-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-twitter-square:before { + content: "\f081"; } + +.fa.fa-facebook-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-facebook-square:before { + content: "\f082"; } + +.fa.fa-gears:before { + content: "\f085"; } + +.fa.fa-thumbs-o-up { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-thumbs-o-up:before { + content: "\f164"; } + +.fa.fa-thumbs-o-down { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-thumbs-o-down:before { + content: "\f165"; } + +.fa.fa-heart-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-heart-o:before { + content: "\f004"; } + +.fa.fa-sign-out:before { + content: "\f2f5"; } + +.fa.fa-linkedin-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-linkedin-square:before { + content: "\f08c"; } + +.fa.fa-thumb-tack:before { + content: "\f08d"; } + +.fa.fa-external-link:before { + content: "\f35d"; } + +.fa.fa-sign-in:before { + content: "\f2f6"; } + +.fa.fa-github-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-github-square:before { + content: "\f092"; } + +.fa.fa-lemon-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-lemon-o:before { + content: "\f094"; } + +.fa.fa-square-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-square-o:before { + content: "\f0c8"; } + +.fa.fa-bookmark-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-bookmark-o:before { + content: "\f02e"; } + +.fa.fa-twitter { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-facebook { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-facebook:before { + content: "\f39e"; } + +.fa.fa-facebook-f { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-facebook-f:before { + content: "\f39e"; } + +.fa.fa-github { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-credit-card { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-feed:before { + content: "\f09e"; } + +.fa.fa-hdd-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hdd-o:before { + content: "\f0a0"; } + +.fa.fa-hand-o-right { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-o-right:before { + content: "\f0a4"; } + +.fa.fa-hand-o-left { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-o-left:before { + content: "\f0a5"; } + +.fa.fa-hand-o-up { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-o-up:before { + content: "\f0a6"; } + +.fa.fa-hand-o-down { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-o-down:before { + content: "\f0a7"; } + +.fa.fa-globe:before { + content: "\f57d"; } + +.fa.fa-tasks:before { + content: "\f828"; } + +.fa.fa-arrows-alt:before { + content: "\f31e"; } + +.fa.fa-group:before { + content: "\f0c0"; } + +.fa.fa-chain:before { + content: "\f0c1"; } + +.fa.fa-cut:before { + content: "\f0c4"; } + +.fa.fa-files-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-files-o:before { + content: "\f0c5"; } + +.fa.fa-floppy-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-floppy-o:before { + content: "\f0c7"; } + +.fa.fa-save { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-save:before { + content: "\f0c7"; } + +.fa.fa-navicon:before { + content: "\f0c9"; } + +.fa.fa-reorder:before { + content: "\f0c9"; } + +.fa.fa-magic:before { + content: "\e2ca"; } + +.fa.fa-pinterest { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-pinterest-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-pinterest-square:before { + content: "\f0d3"; } + +.fa.fa-google-plus-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-google-plus-square:before { + content: "\f0d4"; } + +.fa.fa-google-plus { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-google-plus:before { + content: "\f0d5"; } + +.fa.fa-money:before { + content: "\f3d1"; } + +.fa.fa-unsorted:before { + content: "\f0dc"; } + +.fa.fa-sort-desc:before { + content: "\f0dd"; } + +.fa.fa-sort-asc:before { + content: "\f0de"; } + +.fa.fa-linkedin { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-linkedin:before { + content: "\f0e1"; } + +.fa.fa-rotate-left:before { + content: "\f0e2"; } + +.fa.fa-legal:before { + content: "\f0e3"; } + +.fa.fa-tachometer:before { + content: "\f625"; } + +.fa.fa-dashboard:before { + content: "\f625"; } + +.fa.fa-comment-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-comment-o:before { + content: "\f075"; } + +.fa.fa-comments-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-comments-o:before { + content: "\f086"; } + +.fa.fa-flash:before { + content: "\f0e7"; } + +.fa.fa-clipboard:before { + content: "\f0ea"; } + +.fa.fa-lightbulb-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-lightbulb-o:before { + content: "\f0eb"; } + +.fa.fa-exchange:before { + content: "\f362"; } + +.fa.fa-cloud-download:before { + content: "\f0ed"; } + +.fa.fa-cloud-upload:before { + content: "\f0ee"; } + +.fa.fa-bell-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-bell-o:before { + content: "\f0f3"; } + +.fa.fa-cutlery:before { + content: "\f2e7"; } + +.fa.fa-file-text-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-text-o:before { + content: "\f15c"; } + +.fa.fa-building-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-building-o:before { + content: "\f1ad"; } + +.fa.fa-hospital-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hospital-o:before { + content: "\f0f8"; } + +.fa.fa-tablet:before { + content: "\f3fa"; } + +.fa.fa-mobile:before { + content: "\f3cd"; } + +.fa.fa-mobile-phone:before { + content: "\f3cd"; } + +.fa.fa-circle-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-circle-o:before { + content: "\f111"; } + +.fa.fa-mail-reply:before { + content: "\f3e5"; } + +.fa.fa-github-alt { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-folder-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-folder-o:before { + content: "\f07b"; } + +.fa.fa-folder-open-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-folder-open-o:before { + content: "\f07c"; } + +.fa.fa-smile-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-smile-o:before { + content: "\f118"; } + +.fa.fa-frown-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-frown-o:before { + content: "\f119"; } + +.fa.fa-meh-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-meh-o:before { + content: "\f11a"; } + +.fa.fa-keyboard-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-keyboard-o:before { + content: "\f11c"; } + +.fa.fa-flag-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-flag-o:before { + content: "\f024"; } + +.fa.fa-mail-reply-all:before { + content: "\f122"; } + +.fa.fa-star-half-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-star-half-o:before { + content: "\f5c0"; } + +.fa.fa-star-half-empty { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-star-half-empty:before { + content: "\f5c0"; } + +.fa.fa-star-half-full { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-star-half-full:before { + content: "\f5c0"; } + +.fa.fa-code-fork:before { + content: "\f126"; } + +.fa.fa-chain-broken:before { + content: "\f127"; } + +.fa.fa-unlink:before { + content: "\f127"; } + +.fa.fa-calendar-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-calendar-o:before { + content: "\f133"; } + +.fa.fa-maxcdn { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-html5 { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-css3 { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-unlock-alt:before { + content: "\f09c"; } + +.fa.fa-minus-square-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-minus-square-o:before { + content: "\f146"; } + +.fa.fa-level-up:before { + content: "\f3bf"; } + +.fa.fa-level-down:before { + content: "\f3be"; } + +.fa.fa-pencil-square:before { + content: "\f14b"; } + +.fa.fa-external-link-square:before { + content: "\f360"; } + +.fa.fa-compass { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-caret-square-o-down { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-caret-square-o-down:before { + content: "\f150"; } + +.fa.fa-toggle-down { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-toggle-down:before { + content: "\f150"; } + +.fa.fa-caret-square-o-up { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-caret-square-o-up:before { + content: "\f151"; } + +.fa.fa-toggle-up { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-toggle-up:before { + content: "\f151"; } + +.fa.fa-caret-square-o-right { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-caret-square-o-right:before { + content: "\f152"; } + +.fa.fa-toggle-right { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-toggle-right:before { + content: "\f152"; } + +.fa.fa-eur:before { + content: "\f153"; } + +.fa.fa-euro:before { + content: "\f153"; } + +.fa.fa-gbp:before { + content: "\f154"; } + +.fa.fa-usd:before { + content: "\24"; } + +.fa.fa-dollar:before { + content: "\24"; } + +.fa.fa-inr:before { + content: "\e1bc"; } + +.fa.fa-rupee:before { + content: "\e1bc"; } + +.fa.fa-jpy:before { + content: "\f157"; } + +.fa.fa-cny:before { + content: "\f157"; } + +.fa.fa-rmb:before { + content: "\f157"; } + +.fa.fa-yen:before { + content: "\f157"; } + +.fa.fa-rub:before { + content: "\f158"; } + +.fa.fa-ruble:before { + content: "\f158"; } + +.fa.fa-rouble:before { + content: "\f158"; } + +.fa.fa-krw:before { + content: "\f159"; } + +.fa.fa-won:before { + content: "\f159"; } + +.fa.fa-btc { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bitcoin { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bitcoin:before { + content: "\f15a"; } + +.fa.fa-file-text:before { + content: "\f15c"; } + +.fa.fa-sort-alpha-asc:before { + content: "\f15d"; } + +.fa.fa-sort-alpha-desc:before { + content: "\f881"; } + +.fa.fa-sort-amount-asc:before { + content: "\f884"; } + +.fa.fa-sort-amount-desc:before { + content: "\f160"; } + +.fa.fa-sort-numeric-asc:before { + content: "\f162"; } + +.fa.fa-sort-numeric-desc:before { + content: "\f886"; } + +.fa.fa-youtube-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-youtube-square:before { + content: "\f431"; } + +.fa.fa-youtube { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-xing { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-xing-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-xing-square:before { + content: "\f169"; } + +.fa.fa-youtube-play { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-youtube-play:before { + content: "\f167"; } + +.fa.fa-dropbox { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-stack-overflow { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-instagram { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-flickr { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-adn { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bitbucket { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bitbucket-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bitbucket-square:before { + content: "\f171"; } + +.fa.fa-tumblr { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-tumblr-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-tumblr-square:before { + content: "\f174"; } + +.fa.fa-long-arrow-down:before { + content: "\f309"; } + +.fa.fa-long-arrow-up:before { + content: "\f30c"; } + +.fa.fa-long-arrow-left:before { + content: "\f30a"; } + +.fa.fa-long-arrow-right:before { + content: "\f30b"; } + +.fa.fa-apple { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-windows { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-android { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-linux { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-dribbble { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-skype { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-foursquare { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-trello { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-gratipay { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-gittip { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-gittip:before { + content: "\f184"; } + +.fa.fa-sun-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-sun-o:before { + content: "\f185"; } + +.fa.fa-moon-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-moon-o:before { + content: "\f186"; } + +.fa.fa-vk { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-weibo { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-renren { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-pagelines { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-stack-exchange { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-arrow-circle-o-right { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-arrow-circle-o-right:before { + content: "\f35a"; } + +.fa.fa-arrow-circle-o-left { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-arrow-circle-o-left:before { + content: "\f359"; } + +.fa.fa-caret-square-o-left { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-caret-square-o-left:before { + content: "\f191"; } + +.fa.fa-toggle-left { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-toggle-left:before { + content: "\f191"; } + +.fa.fa-dot-circle-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-dot-circle-o:before { + content: "\f192"; } + +.fa.fa-vimeo-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-vimeo-square:before { + content: "\f194"; } + +.fa.fa-try:before { + content: "\e2bb"; } + +.fa.fa-turkish-lira:before { + content: "\e2bb"; } + +.fa.fa-plus-square-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-plus-square-o:before { + content: "\f0fe"; } + +.fa.fa-slack { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wordpress { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-openid { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-institution:before { + content: "\f19c"; } + +.fa.fa-bank:before { + content: "\f19c"; } + +.fa.fa-mortar-board:before { + content: "\f19d"; } + +.fa.fa-yahoo { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-google { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-reddit { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-reddit-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-reddit-square:before { + content: "\f1a2"; } + +.fa.fa-stumbleupon-circle { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-stumbleupon { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-delicious { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-digg { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-pied-piper-pp { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-pied-piper-alt { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-drupal { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-joomla { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-behance { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-behance-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-behance-square:before { + content: "\f1b5"; } + +.fa.fa-steam { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-steam-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-steam-square:before { + content: "\f1b7"; } + +.fa.fa-automobile:before { + content: "\f1b9"; } + +.fa.fa-cab:before { + content: "\f1ba"; } + +.fa.fa-spotify { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-deviantart { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-soundcloud { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-file-pdf-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-pdf-o:before { + content: "\f1c1"; } + +.fa.fa-file-word-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-word-o:before { + content: "\f1c2"; } + +.fa.fa-file-excel-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-excel-o:before { + content: "\f1c3"; } + +.fa.fa-file-powerpoint-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-powerpoint-o:before { + content: "\f1c4"; } + +.fa.fa-file-image-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-image-o:before { + content: "\f1c5"; } + +.fa.fa-file-photo-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-photo-o:before { + content: "\f1c5"; } + +.fa.fa-file-picture-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-picture-o:before { + content: "\f1c5"; } + +.fa.fa-file-archive-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-archive-o:before { + content: "\f1c6"; } + +.fa.fa-file-zip-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-zip-o:before { + content: "\f1c6"; } + +.fa.fa-file-audio-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-audio-o:before { + content: "\f1c7"; } + +.fa.fa-file-sound-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-sound-o:before { + content: "\f1c7"; } + +.fa.fa-file-video-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-video-o:before { + content: "\f1c8"; } + +.fa.fa-file-movie-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-movie-o:before { + content: "\f1c8"; } + +.fa.fa-file-code-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-file-code-o:before { + content: "\f1c9"; } + +.fa.fa-vine { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-codepen { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-jsfiddle { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-life-bouy:before { + content: "\f1cd"; } + +.fa.fa-life-buoy:before { + content: "\f1cd"; } + +.fa.fa-life-saver:before { + content: "\f1cd"; } + +.fa.fa-support:before { + content: "\f1cd"; } + +.fa.fa-circle-o-notch:before { + content: "\f1ce"; } + +.fa.fa-rebel { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-ra { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-ra:before { + content: "\f1d0"; } + +.fa.fa-resistance { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-resistance:before { + content: "\f1d0"; } + +.fa.fa-empire { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-ge { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-ge:before { + content: "\f1d1"; } + +.fa.fa-git-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-git-square:before { + content: "\f1d2"; } + +.fa.fa-git { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-hacker-news { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-y-combinator-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-y-combinator-square:before { + content: "\f1d4"; } + +.fa.fa-yc-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-yc-square:before { + content: "\f1d4"; } + +.fa.fa-tencent-weibo { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-qq { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-weixin { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wechat { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wechat:before { + content: "\f1d7"; } + +.fa.fa-send:before { + content: "\f1d8"; } + +.fa.fa-paper-plane-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-paper-plane-o:before { + content: "\f1d8"; } + +.fa.fa-send-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-send-o:before { + content: "\f1d8"; } + +.fa.fa-circle-thin { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-circle-thin:before { + content: "\f111"; } + +.fa.fa-header:before { + content: "\f1dc"; } + +.fa.fa-futbol-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-futbol-o:before { + content: "\f1e3"; } + +.fa.fa-soccer-ball-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-soccer-ball-o:before { + content: "\f1e3"; } + +.fa.fa-slideshare { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-twitch { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-yelp { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-newspaper-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-newspaper-o:before { + content: "\f1ea"; } + +.fa.fa-paypal { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-google-wallet { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-visa { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-mastercard { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-discover { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-amex { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-paypal { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-stripe { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bell-slash-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-bell-slash-o:before { + content: "\f1f6"; } + +.fa.fa-trash:before { + content: "\f2ed"; } + +.fa.fa-copyright { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-eyedropper:before { + content: "\f1fb"; } + +.fa.fa-area-chart:before { + content: "\f1fe"; } + +.fa.fa-pie-chart:before { + content: "\f200"; } + +.fa.fa-line-chart:before { + content: "\f201"; } + +.fa.fa-lastfm { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-lastfm-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-lastfm-square:before { + content: "\f203"; } + +.fa.fa-ioxhost { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-angellist { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-cc:before { + content: "\f20a"; } + +.fa.fa-ils:before { + content: "\f20b"; } + +.fa.fa-shekel:before { + content: "\f20b"; } + +.fa.fa-sheqel:before { + content: "\f20b"; } + +.fa.fa-buysellads { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-connectdevelop { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-dashcube { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-forumbee { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-leanpub { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-sellsy { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-shirtsinbulk { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-simplybuilt { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-skyatlas { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-diamond { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-diamond:before { + content: "\f3a5"; } + +.fa.fa-transgender:before { + content: "\f224"; } + +.fa.fa-intersex:before { + content: "\f224"; } + +.fa.fa-transgender-alt:before { + content: "\f225"; } + +.fa.fa-facebook-official { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-facebook-official:before { + content: "\f09a"; } + +.fa.fa-pinterest-p { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-whatsapp { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-hotel:before { + content: "\f236"; } + +.fa.fa-viacoin { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-medium { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-y-combinator { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-yc { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-yc:before { + content: "\f23b"; } + +.fa.fa-optin-monster { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-opencart { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-expeditedssl { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-battery-4:before { + content: "\f240"; } + +.fa.fa-battery:before { + content: "\f240"; } + +.fa.fa-battery-3:before { + content: "\f241"; } + +.fa.fa-battery-2:before { + content: "\f242"; } + +.fa.fa-battery-1:before { + content: "\f243"; } + +.fa.fa-battery-0:before { + content: "\f244"; } + +.fa.fa-object-group { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-object-ungroup { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-sticky-note-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-sticky-note-o:before { + content: "\f249"; } + +.fa.fa-cc-jcb { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-cc-diners-club { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-clone { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hourglass-o:before { + content: "\f254"; } + +.fa.fa-hourglass-1:before { + content: "\f251"; } + +.fa.fa-hourglass-2:before { + content: "\f252"; } + +.fa.fa-hourglass-3:before { + content: "\f253"; } + +.fa.fa-hand-rock-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-rock-o:before { + content: "\f255"; } + +.fa.fa-hand-grab-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-grab-o:before { + content: "\f255"; } + +.fa.fa-hand-paper-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-paper-o:before { + content: "\f256"; } + +.fa.fa-hand-stop-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-stop-o:before { + content: "\f256"; } + +.fa.fa-hand-scissors-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-scissors-o:before { + content: "\f257"; } + +.fa.fa-hand-lizard-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-lizard-o:before { + content: "\f258"; } + +.fa.fa-hand-spock-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-spock-o:before { + content: "\f259"; } + +.fa.fa-hand-pointer-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-pointer-o:before { + content: "\f25a"; } + +.fa.fa-hand-peace-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-hand-peace-o:before { + content: "\f25b"; } + +.fa.fa-registered { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-creative-commons { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-gg { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-gg-circle { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-odnoklassniki { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-odnoklassniki-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-odnoklassniki-square:before { + content: "\f264"; } + +.fa.fa-get-pocket { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wikipedia-w { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-safari { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-chrome { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-firefox { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-opera { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-internet-explorer { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-television:before { + content: "\f26c"; } + +.fa.fa-contao { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-500px { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-amazon { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-calendar-plus-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-calendar-plus-o:before { + content: "\f271"; } + +.fa.fa-calendar-minus-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-calendar-minus-o:before { + content: "\f272"; } + +.fa.fa-calendar-times-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-calendar-times-o:before { + content: "\f273"; } + +.fa.fa-calendar-check-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-calendar-check-o:before { + content: "\f274"; } + +.fa.fa-map-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-map-o:before { + content: "\f279"; } + +.fa.fa-commenting:before { + content: "\f4ad"; } + +.fa.fa-commenting-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-commenting-o:before { + content: "\f4ad"; } + +.fa.fa-houzz { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-vimeo { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-vimeo:before { + content: "\f27d"; } + +.fa.fa-black-tie { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-fonticons { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-reddit-alien { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-edge { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-credit-card-alt:before { + content: "\f09d"; } + +.fa.fa-codiepie { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-modx { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-fort-awesome { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-usb { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-product-hunt { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-mixcloud { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-scribd { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-pause-circle-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-pause-circle-o:before { + content: "\f28b"; } + +.fa.fa-stop-circle-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-stop-circle-o:before { + content: "\f28d"; } + +.fa.fa-bluetooth { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-bluetooth-b { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-gitlab { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wpbeginner { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wpforms { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-envira { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wheelchair-alt { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-wheelchair-alt:before { + content: "\f368"; } + +.fa.fa-question-circle-o { + font-family: 'Font Awesome 6 Free'; + font-weight: 400; } + +.fa.fa-question-circle-o:before { + content: "\f059"; } + +.fa.fa-volume-control-phone:before { + content: "\f2a0"; } + +.fa.fa-asl-interpreting:before { + content: "\f2a3"; } + +.fa.fa-deafness:before { + content: "\f2a4"; } + +.fa.fa-hard-of-hearing:before { + content: "\f2a4"; } + +.fa.fa-glide { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-glide-g { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-signing:before { + content: "\f2a7"; } + +.fa.fa-viadeo { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-viadeo-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-viadeo-square:before { + content: "\f2aa"; } + +.fa.fa-snapchat { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-snapchat-ghost { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-snapchat-ghost:before { + content: "\f2ab"; } + +.fa.fa-snapchat-square { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-snapchat-square:before { + content: "\f2ad"; } + +.fa.fa-pied-piper { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-first-order { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; } + +.fa.fa-yoast { + font-family: 'Font Awesome 6 Brands'; + font-weight: 400; 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+Changelog • chromConverter Skip to contents @@ -37,7 +37,10 @@

chromConverter 0.7.1

-
  • Fix automatic file detection for directories (e.g., Waters .raw and Agilent .D)
    • +
    • Fixed automatic file detection for directories (e.g., Waters .raw and Agilent .D)
      • +
    • Fixed bug preventing extraction of Waters chromatograms with lowercase filenames.
      • +
    • Added support for extracting metadata from ‘Waters’ .raw header files.
      • +
    • Added support for extraction of detector units from ‘Waters’ chromatograms.

chromConverter 0.7.0

diff --git a/pkgdown.yml b/pkgdown.yml index ef25c80..c59300e 100644 --- a/pkgdown.yml +++ b/pkgdown.yml @@ -3,7 +3,7 @@ pkgdown: 2.1.1 pkgdown_sha: ~ articles: articles/plot_ms: plot_ms.html -last_built: 2024-11-14T17:02Z +last_built: 2024-11-24T02:15Z urls: reference: https://ethanbass.github.io/chromConverter/reference article: https://ethanbass.github.io/chromConverter/articles diff --git a/reference/call_entab.html b/reference/call_entab.html index 372f5cf..fd17069 100644 --- a/reference/call_entab.html +++ b/reference/call_entab.html @@ -1,5 +1,5 @@ -Call Entab Converts files using Entab parsers — call_entab • chromConverterCall Entab Converts files using Entab parsers — call_entab • chromConverter Skip to contents diff --git a/reference/call_openchrom.html b/reference/call_openchrom.html index 4ec4ce7..3f75b81 100644 --- a/reference/call_openchrom.html +++ b/reference/call_openchrom.html @@ -1,5 +1,5 @@ -Parse files with OpenChrom — call_openchrom • chromConverterParse files with OpenChrom — call_openchrom • chromConverterParse Agilent or Waters files with rainbow parser — call_rainbow • chromConverterParse Agilent or Waters files with rainbow parser — call_rainbow • chromConverterConfigure OpenChrom parser — configure_openchrom • chromConverter +Configure OpenChrom parser — configure_openchrom • chromConverter Skip to contents diff --git a/reference/configure_python_environment.html b/reference/configure_python_environment.html index b763a72..bbd5ec4 100644 --- a/reference/configure_python_environment.html +++ b/reference/configure_python_environment.html @@ -1,5 +1,5 @@ -Configure python environment — configure_python_environment • chromConverter +Configure python environment — configure_python_environment • chromConverter Skip to contents diff --git a/reference/extract_metadata.html b/reference/extract_metadata.html index fa886c3..9dfc374 100644 --- a/reference/extract_metadata.html +++ b/reference/extract_metadata.html @@ -1,5 +1,5 @@ -Extract metadata — extract_metadata • chromConverter +Extract metadata — extract_metadata • chromConverter Skip to contents diff --git a/reference/index.html b/reference/index.html index f0b2384..2143443 100644 --- a/reference/index.html +++ b/reference/index.html @@ -1,5 +1,5 @@ -Package index • chromConverter +Package index • chromConverter Skip to contents diff --git a/reference/read_agilent_d.html b/reference/read_agilent_d.html index f02dab8..0961a30 100644 --- a/reference/read_agilent_d.html +++ b/reference/read_agilent_d.html @@ -1,5 +1,5 @@ -Read files from 'ChemStation' .D directories — read_agilent_d • chromConverterRead files from 'ChemStation' .D directories — read_agilent_d • chromConverterParser for reading Agilent ('.dx') files into R — read_agilent_dx • chromConverter +Parser for reading Agilent ('.dx') files into R — read_agilent_dx • chromConverter Skip to contents diff --git a/reference/read_asm.html b/reference/read_asm.html index 88f7d9a..7bf8cb1 100644 --- a/reference/read_asm.html +++ b/reference/read_asm.html @@ -1,5 +1,5 @@ -Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm • chromConverter +Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm • chromConverter Skip to contents diff --git a/reference/read_cdf.html b/reference/read_cdf.html index 40fae1a..f9c9dc7 100644 --- a/reference/read_cdf.html +++ b/reference/read_cdf.html @@ -1,5 +1,5 @@ -Read CDF file — read_cdf • chromConverter +Read CDF file — read_cdf • chromConverter Skip to contents diff --git a/reference/read_chemstation_ch.html b/reference/read_chemstation_ch.html index a6f0378..48ec1ff 100644 --- a/reference/read_chemstation_ch.html +++ b/reference/read_chemstation_ch.html @@ -1,5 +1,5 @@ -Read 'ChemStation' CH files — read_chemstation_ch • chromConverterRead 'ChemStation' CH files — read_chemstation_ch • chromConverterRead Chemstation CSV — read_chemstation_csv • chromConverter +Read Chemstation CSV — read_chemstation_csv • chromConverter Skip to contents diff --git a/reference/read_chemstation_ms.html b/reference/read_chemstation_ms.html index a3e0418..c95ff8a 100644 --- a/reference/read_chemstation_ms.html +++ b/reference/read_chemstation_ms.html @@ -1,5 +1,5 @@ -Read 'Agilent ChemStation' MS file. — read_chemstation_ms • chromConverterRead 'Agilent ChemStation' MS file. — read_chemstation_ms • chromConverter Skip to contents diff --git a/reference/read_chemstation_reports.html b/reference/read_chemstation_reports.html index adacfcd..f53ad76 100644 --- a/reference/read_chemstation_reports.html +++ b/reference/read_chemstation_reports.html @@ -1,5 +1,5 @@ -Read 'Agilent ChemStation' Reports — read_chemstation_reports • chromConverter +Read 'Agilent ChemStation' Reports — read_chemstation_reports • chromConverter Skip to contents diff --git a/reference/read_chemstation_uv.html b/reference/read_chemstation_uv.html index a70e96c..050d311 100644 --- a/reference/read_chemstation_uv.html +++ b/reference/read_chemstation_uv.html @@ -1,5 +1,5 @@ -Read 'ChemStation' DAD files — read_chemstation_uv • chromConverterRead 'ChemStation' DAD files — read_chemstation_uv • chromConverterChromeleon ASCII reader — read_chromeleon • chromConverter +Chromeleon ASCII reader — read_chromeleon • chromConverter Skip to contents diff --git a/reference/read_chroms.html b/reference/read_chroms.html index 7763d1f..faf35c5 100644 --- a/reference/read_chroms.html +++ b/reference/read_chroms.html @@ -1,5 +1,5 @@ -Read Chromatograms — read_chroms • chromConverterRead Chromatograms — read_chroms • chromConverterRead 'Lumex' MDF files into R — read_mdf • chromConverter +Read 'Lumex' MDF files into R — read_mdf • chromConverter Skip to contents diff --git a/reference/read_mzml.html b/reference/read_mzml.html index 4e5aee6..fddad31 100644 --- a/reference/read_mzml.html +++ b/reference/read_mzml.html @@ -1,5 +1,5 @@ -Extract data from mzML files — read_mzml • chromConverterExtract data from mzML files — read_mzml • chromConverterRead peak lists — read_peaklist • chromConverter +Read peak lists — read_peaklist • chromConverter Skip to contents diff --git a/reference/read_shimadzu.html b/reference/read_shimadzu.html index ae11409..96db520 100644 --- a/reference/read_shimadzu.html +++ b/reference/read_shimadzu.html @@ -1,5 +1,5 @@ -Shimadzu ascii reader — read_shimadzu • chromConverterShimadzu ascii reader — read_shimadzu • chromConverterShimadzu GCD parser — read_shimadzu_gcd • chromConverter +Shimadzu GCD parser — read_shimadzu_gcd • chromConverter Skip to contents diff --git a/reference/read_shimadzu_lcd.html b/reference/read_shimadzu_lcd.html index 0f1451c..ef0d1bb 100644 --- a/reference/read_shimadzu_lcd.html +++ b/reference/read_shimadzu_lcd.html @@ -1,5 +1,5 @@ -Shimadzu LCD parser — read_shimadzu_lcd • chromConverter +Shimadzu LCD parser — read_shimadzu_lcd • chromConverter Skip to contents diff --git a/reference/read_shimadzu_qgd.html b/reference/read_shimadzu_qgd.html index c9bf430..e7f636b 100644 --- a/reference/read_shimadzu_qgd.html +++ b/reference/read_shimadzu_qgd.html @@ -1,5 +1,5 @@ -Read 'Shimadzu' QGD — read_shimadzu_qgd • chromConverter +Read 'Shimadzu' QGD — read_shimadzu_qgd • chromConverter Skip to contents diff --git a/reference/read_sz_lcd_2d.html b/reference/read_sz_lcd_2d.html index bb422e4..f33702c 100644 --- a/reference/read_sz_lcd_2d.html +++ b/reference/read_sz_lcd_2d.html @@ -1,5 +1,5 @@ -Shimadzu LCD 2D parser — read_sz_lcd_2d • chromConverter +Shimadzu LCD 2D parser — read_sz_lcd_2d • chromConverter Skip to contents diff --git a/reference/read_sz_lcd_3d.html b/reference/read_sz_lcd_3d.html index a3cc45f..e9518ed 100644 --- a/reference/read_sz_lcd_3d.html +++ b/reference/read_sz_lcd_3d.html @@ -1,5 +1,5 @@ -Shimadzu LCD 3D parser — read_sz_lcd_3d • chromConverter +Shimadzu LCD 3D parser — read_sz_lcd_3d • chromConverter Skip to contents diff --git a/reference/read_thermoraw.html b/reference/read_thermoraw.html index 27378eb..7e6bb4b 100644 --- a/reference/read_thermoraw.html +++ b/reference/read_thermoraw.html @@ -1,5 +1,5 @@ -Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw • chromConverter +Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw • chromConverter Skip to contents diff --git a/reference/read_varian_peaklist.html b/reference/read_varian_peaklist.html index cba5861..63a2cea 100644 --- a/reference/read_varian_peaklist.html +++ b/reference/read_varian_peaklist.html @@ -1,5 +1,5 @@ -Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist • chromConverterRead 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist • chromConverter Skip to contents diff --git a/reference/read_varian_sms.html b/reference/read_varian_sms.html index 649a861..72ee1b3 100644 --- a/reference/read_varian_sms.html +++ b/reference/read_varian_sms.html @@ -1,5 +1,5 @@ -Read 'Varian' SMS — read_varian_sms • chromConverter +Read 'Varian' SMS — read_varian_sms • chromConverter Skip to contents diff --git a/reference/read_waters_arw.html b/reference/read_waters_arw.html index 1cab01d..83e9618 100644 --- a/reference/read_waters_arw.html +++ b/reference/read_waters_arw.html @@ -1,5 +1,5 @@ -Waters ascii (.arw) reader — read_waters_arw • chromConverter +Waters ascii (.arw) reader — read_waters_arw • chromConverter Skip to contents diff --git a/reference/read_waters_raw.html b/reference/read_waters_raw.html index c4ef328..1262ce2 100644 --- a/reference/read_waters_raw.html +++ b/reference/read_waters_raw.html @@ -1,5 +1,5 @@ -Read 'Waters' RAW — read_waters_raw • chromConverter +Read 'Waters' RAW — read_waters_raw • chromConverter Skip to contents diff --git a/reference/sp_converter.html b/reference/sp_converter.html index 04b96de..9d2863d 100644 --- a/reference/sp_converter.html +++ b/reference/sp_converter.html @@ -1,5 +1,5 @@ -Converter for 'Agilent MassHunter' UV files — sp_converter • chromConverterConverter for 'Agilent MassHunter' UV files — sp_converter • chromConverter Skip to contents diff --git a/reference/uv_converter.html b/reference/uv_converter.html index 61777bd..d49e257 100644 --- a/reference/uv_converter.html +++ b/reference/uv_converter.html @@ -1,5 +1,5 @@ -Converter for 'Agilent ChemStation' UV files — uv_converter • chromConverterConverter for 'Agilent ChemStation' UV files — uv_converter • chromConverter Skip to contents diff --git a/reference/write_andi_chrom.html b/reference/write_andi_chrom.html index 5df2cc7..fc1c2f7 100644 --- a/reference/write_andi_chrom.html +++ b/reference/write_andi_chrom.html @@ -1,5 +1,5 @@ -Write ANDI chrom CDF file from chromatogram — write_andi_chrom • chromConverterWrite ANDI chrom CDF file from chromatogram — write_andi_chrom • chromConverterExport chromatograms — write_chroms • chromConverter +Export chromatograms — write_chroms • chromConverter Skip to contents diff --git a/reference/write_mzml.html b/reference/write_mzml.html index 6bf3063..c1893a3 100644 --- a/reference/write_mzml.html +++ b/reference/write_mzml.html @@ -1,5 +1,5 @@ -Write mzML — write_mzml • chromConverterWrite mzML — write_mzml • chromConverter Everyone permitted copy distribute verbatim copies license document, changing allowed.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"preamble","dir":"","previous_headings":"","what":"Preamble","title":"GNU General Public License","text":"GNU General Public License free, copyleft license software kinds works. licenses software practical works designed take away freedom share change works. contrast, GNU General Public License intended guarantee freedom share change versions program–make sure remains free software users. , Free Software Foundation, use GNU General Public License software; applies also work released way authors. can apply programs, . speak free software, referring freedom, price. General Public Licenses designed make sure freedom distribute copies free software (charge wish), receive source code can get want , can change software use pieces new free programs, know can things. protect rights, need prevent others denying rights asking surrender rights. Therefore, certain responsibilities distribute copies software, modify : responsibilities respect freedom others. example, distribute copies program, whether gratis fee, must pass recipients freedoms received. must make sure , , receive can get source code. must show terms know rights. 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Interpretation of Sections 15 and 16","title":"GNU General Public License","text":"disclaimer warranty limitation liability provided given local legal effect according terms, reviewing courts shall apply local law closely approximates absolute waiver civil liability connection Program, unless warranty assumption liability accompanies copy Program return fee. END TERMS CONDITIONS","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"how-to-apply-these-terms-to-your-new-programs","dir":"","previous_headings":"","what":"How to Apply These Terms to Your New Programs","title":"GNU General Public License","text":"develop new program, want greatest possible use public, best way achieve make free software everyone can redistribute change terms. , attach following notices program. safest attach start source file effectively state exclusion warranty; file least “copyright” line pointer full notice found. Also add information contact electronic paper mail. program terminal interaction, make output short notice like starts interactive mode: hypothetical commands show w show c show appropriate parts General Public License. course, program’s commands might different; GUI interface, use “box”. also get employer (work programmer) school, , sign “copyright disclaimer” program, necessary. information , apply follow GNU GPL, see . GNU General Public License permit incorporating program proprietary programs. program subroutine library, may consider useful permit linking proprietary applications library. want , use GNU Lesser General Public License instead License. first, please read .","code":" Copyright (C) This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . Copyright (C) This program comes with ABSOLUTELY NO WARRANTY; for details type 'show w'. This is free software, and you are welcome to redistribute it under certain conditions; type 'show c' for details."},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-use-base-r-syntax","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra use base R syntax","title":"Intro to plotting mass spectrometry data","text":"simple plot function use plot mass spectra base R: can extract mass spectra filtering time, e.g., get mass spectrum first scan, :","code":"x <- dat[[1]]$MS1 # derive TIC using aggregate tic <- aggregate(intensity ~ rt, data = x, FUN = sum) # plot TIC matplot(tic$rt, tic$intensity, type = 'l', ylab = \"Total intensity\", xlab = \"Time (min)\") plot_spec <- function(spec, lab_int=0.2, digits=1){ plot(spec, type = \"h\", xlab = \"m/z\", ylab = \"Intensity\") lab.idx <- which(spec$intensity > lab_int * max(spec$intensity)) text(spec$mz[lab.idx], spec$intensity[lab.idx], round(spec$mz[lab.idx], digits), offset = 0.25, pos = 3, cex = 0.5) } times <- unique(x$rt) spec <- x[x$rt == times[100], -1] plot_spec(spec)"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-using-dplyr-syntax","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra using dplyr syntax","title":"Intro to plotting mass spectrometry data","text":"Plot TIC dplyr: Plot spectrum dplyr:","code":"tic <- x |> dplyr::group_by(rt) |> dplyr::summarize_at(\"intensity\", sum) plot(intensity ~ rt, data=tic, type = 'l', ylab = \"Total intensity\", xlab = \"Time (min)\") dplyr::filter(x, rt == 7.26355) |> dplyr::select(mz, intensity) |> plot_spec()"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-using-data-table-syntax","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra using data.table syntax","title":"Intro to plotting mass spectrometry data","text":"Convert data.table: chromConverter can also return chromatograms data.table format directly: Extract total ion chromatogram: Extract base ion chromatogram: obtain mass spectrum just filter retention time :","code":"x <- data.table::as.data.table(x) dat <- read_chroms(path_sms, format_in = \"varian_sms\", format_out = \"data.table\") tic <- x[, .(intensity = sum(intensity)), by = rt] matplot(tic$rt, tic$intensity, type = 'l', ylab = \"Total intensity\", xlab = \"Time (min)\") bpc <- x[, .(intensity = max(intensity)), by = rt] matplot(bpc$rt, bpc$intensity, type = 'l', ylab = \"Base ion chromatogram\", xlab = \"Time (min)\") plot_spec(x[rt == 7.26355, c('mz','intensity')])"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-using-ggplot","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra using ggplot","title":"Intro to plotting mass spectrometry data","text":"Plot mass spectrum ggplot:","code":"library(ggplot2) ggplot(data = tic, aes(x=rt, y=intensity)) + geom_line() + xlab(\"Retention time (min)\") + ylab(\"Intensity\") lab_int <- 0.2 digits <- 1 dplyr::filter(x, rt == 7.26355) |> dplyr::select(mz, intensity) |> ggplot(aes(x = mz, y = intensity)) + geom_segment(aes(xend = mz, yend = 0), linewidth = 0.5) + geom_text(data = subset(spec, intensity > lab_int * max(intensity)), aes(label = round(mz, digits)), vjust = -0.5, size = 2) + labs(x = \"m/z\", y = \"Intensity\") + theme_minimal()"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"session-information","dir":"Articles","previous_headings":"","what":"Session Information","title":"Intro to plotting mass spectrometry data","text":"","code":"sessionInfo() #> R version 4.4.2 (2024-10-31) #> Platform: x86_64-pc-linux-gnu #> Running under: Ubuntu 22.04.5 LTS #> #> Matrix products: default #> BLAS: /usr/lib/x86_64-linux-gnu/openblas-pthread/libblas.so.3 #> LAPACK: /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblasp-r0.3.20.so; LAPACK version 3.10.0 #> #> locale: #> [1] LC_CTYPE=C.UTF-8 LC_NUMERIC=C LC_TIME=C.UTF-8 #> [4] LC_COLLATE=C.UTF-8 LC_MONETARY=C.UTF-8 LC_MESSAGES=C.UTF-8 #> [7] LC_PAPER=C.UTF-8 LC_NAME=C LC_ADDRESS=C #> [10] LC_TELEPHONE=C LC_MEASUREMENT=C.UTF-8 LC_IDENTIFICATION=C #> #> time zone: UTC #> tzcode source: system (glibc) #> #> attached base packages: #> [1] stats graphics grDevices utils datasets methods base #> #> other attached packages: #> [1] data.table_1.16.2 ggplot2_3.5.1 chromConverter_0.7.1 #> #> loaded via a namespace (and not attached): #> [1] rappdirs_0.3.3 generics_0.1.3 sass_0.4.9 utf8_1.2.4 #> [5] bitops_1.0-9 xml2_1.3.6 stringi_1.8.4 lattice_0.22-6 #> [9] digest_0.6.37 magrittr_2.0.3 evaluate_1.0.1 grid_4.4.2 #> [13] fastmap_1.2.0 rprojroot_2.0.4 cellranger_1.1.0 jsonlite_1.8.9 #> [17] Matrix_1.7-1 purrr_1.0.2 fansi_1.0.6 scales_1.3.0 #> [21] RaMS_1.4.3 pbapply_1.7-2 textshaping_0.4.0 jquerylib_0.1.4 #> [25] cli_3.6.3 rlang_1.1.4 bit64_4.5.2 munsell_0.5.1 #> [29] withr_3.0.2 base64enc_0.1-3 cachem_1.1.0 yaml_2.3.10 #> [33] parallel_4.4.2 tools_4.4.2 dplyr_1.1.4 colorspace_2.1-1 #> [37] here_1.0.1 reticulate_1.39.0 vctrs_0.6.5 R6_2.5.1 #> [41] png_0.1-8 lifecycle_1.0.4 stringr_1.5.1 fs_1.6.5 #> [45] bit_4.5.0 ragg_1.3.3 pkgconfig_2.0.3 desc_1.4.3 #> [49] pkgdown_2.1.1 bslib_0.8.0 pillar_1.9.0 gtable_0.3.6 #> [53] glue_1.8.0 Rcpp_1.0.13-1 systemfonts_1.1.0 tidyselect_1.2.1 #> [57] xfun_0.49 tibble_3.2.1 knitr_1.49 farver_2.1.2 #> [61] htmltools_0.5.8.1 labeling_0.4.3 rmarkdown_2.29 compiler_4.4.2 #> [65] entab_0.3.1 readxl_1.4.3"},{"path":"https://ethanbass.github.io/chromConverter/authors.html","id":null,"dir":"","previous_headings":"","what":"Authors","title":"Authors and Citation","text":"Ethan Bass. Author, maintainer. James Dillon. Contributor, copyright holder. Author copyright holder source code adapted 'Chromatography Toolbox' parsing 'Agilent' FID files. Evan Shi. Contributor, copyright holder. Author copyright holder source code adapted 'rainbow' parsing 'Agilent' UV files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/authors.html","id":"citation","dir":"","previous_headings":"","what":"Citation","title":"Authors and Citation","text":"Bass, E. (2024). chromConverter: Chromatographic File Converter. http://doi.org/10.5281/zenodo.6792521.","code":"@Manual{, title = {chromConverter: Chromatographic File Converter}, author = {Ethan Bass}, year = {2024}, version = {version 0.7.1}, doi = {10.5281/zenodo.6792521}, url = {https://ethanbass.github.io/chromConverter/}, }"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"chromconverter-","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Table contents: Overview - Installation - File formats - Usage - Contributing - Citation","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"overview","dir":"","previous_headings":"","what":"Overview","title":"Chromatographic File Converter","text":"chromConverter aims facilitate conversion chromatography data various proprietary formats can easily read R analysis. includes number parsers written directly R well bindings various external libraries including Aston, Entab, rainbow, ThermoRawFileParser, OpenChrom RaMS.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"chromconverter","dir":"","previous_headings":"Formats","what":"ChromConverter","title":"Chromatographic File Converter","text":"‘Agilent ChemStation’ & ‘OpenLab’ .uv files (versions 131, 31) ‘Agilent ChemStation’ & ‘OpenLab’ .ch files (versions 30, 130, 8, 81, 179, 181) Allotrope® Simple Model (ASM) 2D chromatograms (.asm) ÅNDI (Analytical Data Interchange) Chromatography & MS formats (.cdf) ‘Allotrope Simple Model’ (ASM) 2D chromatograms. mzML (.mzml) & mzXML (.mzxml) (via RaMS). ‘Shimadzu LabSolutions’ ascii (.txt) ‘Shimadzu GCsolution’ data files (.gcd) ‘Shimadzu GCMSsolution’ data files (.qgd) ‘Shimadzu LabSolutions’.lcd (provisional support PDA chromatogram streams) ‘Thermo Scientific Chromeleon’ ascii (.txt) ‘Varian Workstation’ (.SMS) ‘Waters Empower’ ascii (.arw)","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"astonentab-entab-requires-separate-installation-see-instructions-below","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Agilent ChemStation (.ch, .fid, .ms, .mwd, & .uv) Agilent MassHunter DAD (.sp)","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"thermorawfileparser-requires-separate-installation-see-instructions-below","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Thermo RAW (.raw)","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"rainbow","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Agilent (.ch, .fid, .ms, .MSProfile.bin, & .uv) Waters (.raw [UV, MS, CAD, ELSD])","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"openchrom-requires-separate-installation-see-instructions-below","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Shimadzu FID (.gcd, .C0#) PerkinElmer FID (.raw) Varian FID (.run) DataApex FID (.PRM) MassFinder FID/MSD (*.mfg) ABSciex DAD (.wiff) many (see full list ).","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"installation","dir":"","previous_headings":"","what":"Installation","title":"Chromatographic File Converter","text":"chromConverter can now installed directly CRAN: However, ’s recommended install development version chromConverter GitHub follows: R Universe: Note: changes recent versions RStudio messed accessibility python bindings reticulate. wish access python-based parsers (e.g. aston rainbow) recent version RStudio, suggested first change default settings RStudio. , open Tools:Global Options...:Python uncheck box says Automatically activate project-local Python environments. restart RStudio. Alternatively, issue can resolved selecting desired python interpreter Python settings pane. recommended use local installation miniconda, can installed running reticulate::install_miniconda().","code":"install.packages(\"chromConverter\") install.packages(\"remotes\") remotes::install_github(\"https://github.com/ethanbass/chromConverter/\") install.packages(\"chromConverter\", repos=\"https://ethanbass.r-universe.dev/\", type=\"source\")"},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"importing-chromatograms","dir":"","previous_headings":"Usage","what":"Importing chromatograms","title":"Chromatographic File Converter","text":"workhorse chromConverter read_chroms function, functions wrapper around supported parsers. convert files, call read_chroms, specifying paths vector directories files appropriate file format (format_in). Supported formats include chemstation_uv, chemstation_csv, masshunter_dad, shimadzu_fid, shimadzu_dad, chromeleon_uv, thermoraw, mzml, waters_arw, msd, csd, wsd. read_chroms function attempt determine appropriate parser use whether ’ve provided vector directories files. However, ’d like explicit, can provide arguments parsers find_files arguments. Setting find_files = FALSE instruct function providing vector files, find_files = TRUE implies providing vector directories.","code":"library(chromConverter) dat <- read_chroms(path, format_in = \"chemstation_uv\")"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"exporting-files","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"’d like automatically export files, include desired file format (export_format) path ’d like export files (path_out). parsers (e.g. OpenChrom ThermoRawFileParser) need export files basic operations. Thus, parsers selected, need specify argument path_out.","code":"library(chromConverter) dat <- read_chroms(path, find_files = FALSE, path_out=\"temp\", export=TRUE)"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"choosing-between-multiple-parsers","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"formats multiple parsers available, can choose using parser argument. example, ‘Agilent’ files can now read using parsers number external libraries, including Aston, Entab, OpenChrom, rainbow. parsers must installed manually described installation instructions page. recommended use newer Entab rainbow parsers, since Aston longer actively supported.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"openchrom-parsers","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Parsers OpenChrom organized detector-type. Thus, format_in argument, user must specify whether files come mass selective detector (msd), current-selective detector like flame-ionization detector (csd), wavelength-selective detector (wsd), rather providing specific file format. addition, user specify format ’d like export (export_format). Current options include csv, cdf, mzml, animl (analytical information markup language). files converted calling OpenChrom command-line interface. files exported csv mzml format, chromatograms automatically read R. Otherwise, files exported specified folder read R workspace.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"extracting-metadata","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"chromConverter includes options extract metadata provided files. read_metadata = TRUE, metadata extracted stored attributes associated object. metadata can accessed using attributes attr functions individual chromatograms, extracted data.frame tibble list chromatograms using extract_metadata function.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"importing-peak-lists","dir":"","previous_headings":"Usage","what":"Importing peak lists","title":"Chromatographic File Converter","text":"read_peaklist function can used import peak lists ‘Agilent ChemStation’ REPORT files ‘Shimadzu’ ascii files. syntax similar read_chroms. simplest case, can just provide paths files directory want read along format (format_in), e.g.","code":"pks <- read_peaklist(, format_in = \"chemstation\")"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"optional-additional-dependencies","dir":"","previous_headings":"Usage","what":"Optional additional dependencies","title":"Chromatographic File Converter","text":"parsers rely external software libraries must manually installed.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"aston","dir":"","previous_headings":"Usage > Optional additional dependencies","what":"Aston","title":"Chromatographic File Converter","text":"install Aston, call configure_aston() function install miniconda along necessary python dependencies. Running read_chroms Aston parser selected also trigger prompt install Aston. ’re running Windows, may need install latest version ‘Microsoft Visual C++’ don’t already .","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"entab","dir":"","previous_headings":"Usage > Optional additional dependencies","what":"Entab","title":"Chromatographic File Converter","text":"Entab Rust-based parsing framework converting variety scientific file formats tabular data. use parsers Entab, must first install Rust Entab-R. following instructions install Rust, can install Entab GitHub follows:","code":"remotes::install_github(\"https://github.com/bovee/entab/\", subdir = \"entab-r\")"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"thermorawfileparser","dir":"","previous_headings":"Usage > Optional additional dependencies","what":"ThermoRawFileParser","title":"Chromatographic File Converter","text":"Thermo RAW files can converted calling ThermoRawFileParser command-line. install ThermoRawFileParser, follow instructions . running Linux Mac OS X, also need install mono, following instructions provided link. addition, use chromConverter convert Thermo RAW files first time asked enter path program.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"note-support-for-the-commmand-line-interface-has-been-removed-from-openchrom-as-of-version-150-older-versions-eg-14x-should-still-work-for-now-unfortunately-openchrom-14-has-been-scrubbed-from-the-internet-but-openchrom-13-is-still-available-from-sourceforge","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"OpenChrom open source chromatography software, containing large number file parsers, can now conveniently accessed directly R. Strangely, configuring OpenChrom use command-line deactivates graphical user interface (GUI). Thus, recommended make separate copy OpenChrom ’d still like access GUI. use OpenChrom parsers, follow steps detailed : Download OpenChrom (version ≤ 1.4) place directory choice. intend use GUI future, recommended make separate copy OpenChrom command-line use. Call read_chroms parser = \"openchrom\". first time call parser, may asked provide path local installation OpenChrom. path saved future use. command-line interface disabled, given option automatically activate command-line. Alternatively, command-line option can activated R calling configure_openchrom(cli = \"true\") following instructions manually activate CLI. process can reversed using function: e.g. configure_openchrom(cli = \"false\"). specify OpenChrom executable non-standard location, callconfigure_openchromwith thepathargument, e.g.configure_openchrom(cli = “true”, path = “path_to_openchrom_executable”).","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"further-analysis","dir":"","previous_headings":"","what":"Further analysis","title":"Chromatographic File Converter","text":"downstream analyses chromatographic data, can also check package chromatographR. interactive visualization chromatograms, can check new package ShinyChromViewer (alpha release). also vignette providing introduction basic syntax plotting mass spectrometry data returned chromConverter various R dialects.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"contributing","dir":"","previous_headings":"","what":"Contributing","title":"Chromatographic File Converter","text":"Contributions source code, ideas, documentation always welcome. Please get touch (preferable opening GitHub issue) discuss suggestions file bug report. good reasons file issue: ’ve found actual bug. ’re getting cryptic error message don’t understand. file format ’d like read isn’t currently supported chromConverter. (Please make sure attach example files link files.) ’s another new feature ’d like see implemented. Note: filing bug report, please make sure install latest development version chromConverter GitHub, case bug already patched. installing latest version, may also need refresh R session remove older version cache.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"other-related-packages","dir":"","previous_headings":"","what":"Other related packages","title":"Chromatographic File Converter","text":"tidy extraction mzML data, see RaMS.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"citation","dir":"","previous_headings":"","what":"Citation","title":"Chromatographic File Converter","text":"can cite chromConverter follows: Bass, E. (2024). chromConverter: Chromatographic File Converter. http://doi.org/10.5281/zenodo.6792521. use external libraries convert files, suggested also cite libraries published work.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":null,"dir":"Reference","previous_headings":"","what":"Call Entab Converts files using Entab parsers — call_entab","title":"Call Entab Converts files using Entab parsers — call_entab","text":"Call Entab Converts files using Entab parsers","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Call Entab Converts files using Entab parsers — call_entab","text":"","code":"call_entab( path, data_format = c(\"wide\", \"long\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), format_in = \"\", read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Call Entab Converts files using Entab parsers — call_entab","text":"path Path file data_format Whether return data wide long format. format_out Class output. Either matrix, data.frame, data.table. format_in Format input. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Call Entab Converts files using Entab parsers — call_entab","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":null,"dir":"Reference","previous_headings":"","what":"Parse files with OpenChrom — call_openchrom","title":"Parse files with OpenChrom — call_openchrom","text":"Writes xml batch-files calls OpenChrom file parsers using system call command-line interface. use function OpenChrom (version 0.4.0) must manually installed. command line interface longer supported latest versions OpenChrom (starting version 0.5.0), function longer work newer versions. OpenChrom 1.4 scrubbed internet, OpenChrom 1.3 still available SourceForge.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Parse files with OpenChrom — call_openchrom","text":"","code":"call_openchrom( files, path_out = NULL, format_in, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), export_format = c(\"mzml\", \"csv\", \"cdf\", \"animl\"), return_paths = FALSE, verbose = getOption(\"verbose\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Parse files with OpenChrom — call_openchrom","text":"files files parse path_out directory export converted files. format_in Either msd mass spectrometry data, csd flame ionization data, wsd DAD/UV data. format_out R format. Either matrix, data.frame data.table. data_format Whether return data wide long format. export_format Either mzml, csv, cdf, animl. Defaults mzml. return_paths Logical. TRUE, function return character vector paths newly created files. verbose Logical. Whether print output OpenChrom console.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Parse files with OpenChrom — call_openchrom","text":"return_paths FALSE, function return list chromatograms (appropriate parser available import files R). chromatograms returned matrix data.frame format according value format_out. return_paths TRUE, function return character vector paths newly created files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Parse files with OpenChrom — call_openchrom","text":"call_openchrom works creating xml batchfile feeding OpenChrom command-line interface. OpenChrom batchfiles consist InputEntries (files want convert) ProcessEntries (want files). parsers organized broad categories detector-type output format. detector-types msd (mass selective detectors), csd (current selective detectors, e.g. FID, ECD, NPD), wsd (wavelength selective detectors, e.g. DAD, UV/VIS). Thus, calling OpenChrom parsers, must select one three options input format (format_in).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Parse files with OpenChrom — call_openchrom","text":"Activating OpenChrom command-line deactivate graphical user interface (GUI). Thus, wish continue using OpenChrom GUI, recommended create separate command-line version OpenChrom call R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Parse files with OpenChrom — call_openchrom","text":"Chromatograms exported format specified export_format folder specified path_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"references","dir":"Reference","previous_headings":"","what":"References","title":"Parse files with OpenChrom — call_openchrom","text":"Wenig, Philip Odermatt, Juergen. OpenChrom: Cross-Platform Open Source Software Mass Spectrometric Analysis Chromatographic Data. BMC Bioinformatics 11, . 1 (July 30, 2010): 405. doi:10.1186/1471-2105-11-405 .","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Parse files with OpenChrom — call_openchrom","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":null,"dir":"Reference","previous_headings":"","what":"Parse Agilent or Waters files with rainbow parser — call_rainbow","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"Uses rainbow parsers read Agilent (.D) Waters (.raw) files. format_in agilent_d waters_raw, directory appropriate format (.d .raw) provided file. format_in chemstation_uv .uv file provided. Data can filtered detector type using argument.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"","code":"call_rainbow( path, format_in = c(\"agilent_d\", \"waters_raw\", \"masshunter\", \"chemstation\", \"chemstation_uv\", \"chemstation_fid\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), by = c(\"detector\", \"name\"), what = NULL, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE, precision = 1 )"},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"path Path file format_in Format supplied files. Either agilent_d, waters_raw, chemstation. format_out R format. Either matrix, data.frame, data.table. data_format Whether return data wide long format. order list returned. Either detector (default) name. types data return (e.g. MS, UV, CAD, ELSD). argument applies == \"detector\". read_metadata Logical. Whether attach metadata. Defaults TRUE. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. precision Number decimals round mz values. Defaults 1.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"Returns (nested) list matrices data.frames according value format_out. Data ordered according value .","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":null,"dir":"Reference","previous_headings":"","what":"Configure OpenChrom parser — configure_openchrom","title":"Configure OpenChrom parser — configure_openchrom","text":"Configure OpenChrom parser","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Configure OpenChrom parser — configure_openchrom","text":"","code":"configure_openchrom(cli = c(\"null\", \"true\", \"false\", \"status\"), path = NULL)"},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Configure OpenChrom parser — configure_openchrom","text":"cli Defaults NULL. \"true\", R rewrite openchrom ini file enable CLI. \"false\", R disable CLI. NULL, R modify ini file. path Path 'OpenChrom' executable (Optional). supplied path overwrite current path.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Configure OpenChrom parser — configure_openchrom","text":"cli set \"status\", returns Boolean value indicating whether 'OpenChrom' configured correctly. Otherwise, returns path OpenChrom command-line application.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Configure OpenChrom parser — configure_openchrom","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":null,"dir":"Reference","previous_headings":"","what":"Configure python environment — configure_python_environment","title":"Configure python environment — configure_python_environment","text":"Configures reticulate environment parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Configure python environment — configure_python_environment","text":"","code":"configure_python_environment(parser = \"all\", return_boolean = FALSE)"},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Configure python environment — configure_python_environment","text":"parser Either aston, rainbow, olefile (read_shimadzu_lcd). return_boolean Logical. Whether return Boolean value indicating chromConverter environment correctly configured.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Configure python environment — configure_python_environment","text":"return_boolean TRUE, returns Boolean value indicating whether chromConverter environment configured correctly. Otherwise, return value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Configure python environment — configure_python_environment","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":null,"dir":"Reference","previous_headings":"","what":"Extract metadata — extract_metadata","title":"Extract metadata — extract_metadata","text":"Extract metadata data.frame list chromatograms.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Extract metadata — extract_metadata","text":"","code":"extract_metadata( chrom_list, what = c(\"instrument\", \"detector\", \"detector_id\", \"software\", \"method\", \"batch\", \"operator\", \"run_datetime\", \"sample_name\", \"sample_id\", \"injection_volume\", \"time_range\", \"time_interval\", \"time_unit\", \"detector_range\", \"detector_y_unit\", \"detector_x_unit\", \"intensity_multiplier\", \"scaled\", \"source_file\", \"source_file_format\", \"source_sha1\", \"data_format\", \"parser\", \"format_out\"), format_out = c(\"data.frame\", \"tibble\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Extract metadata — extract_metadata","text":"chrom_list list chromatograms attached metadata (returned read_chroms read_metadata = TRUE). character vector specifying metadata elements extract. format_out Format object. Either data.frame tibble.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Extract metadata — extract_metadata","text":"data.frame tibble (according value format_out), samples rows specified metadata elements columns.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":null,"dir":"Reference","previous_headings":"","what":"Read files from 'ChemStation' .D directories — read_agilent_d","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"Agilent .ch files come several different varieties. parser can automatically detect read several versions files 'Agilent ChemStation' 'Agilent OpenLab', including versions 30 130, generally produced ultraviolet detectors, well 81, 179, 181 generally produced flame ionization (FID) detectors.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"","code":"read_agilent_d( path, what = c(\"chroms\", \"dad\", \"peak_table\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"path Path .ch file Whether extract chromatograms (chroms), DAD data (dad) /peak tables peak_table. Accepts multiple arguments. ms_spectra. Accepts multiple arguments. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"list chromatograms format specified data_format #' format_out. data_format wide, chromatograms returned retention times rows columns containing signal intensity signal. long format requested, retention times first column. format_out argument determines whether chromatogram returned matrix, data.frame data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":null,"dir":"Reference","previous_headings":"","what":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"Parser reading Agilent ('.dx') files R","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"","code":"read_agilent_dx( path, path_out = NULL, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"path Path .dx file. path_out Path directory export unzipped files. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":null,"dir":"Reference","previous_headings":"","what":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"parser reading 'Allotrope Simple Model' files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"","code":"read_asm( path, data_format = c(\"wide\", \"long\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"path Path ASM .json file. data_format Whether return data wide long format. format_out Matrix data.frame. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"2D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatogram returned matrix data.frame. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":null,"dir":"Reference","previous_headings":"","what":"Read CDF file — read_cdf","title":"Read CDF file — read_cdf","text":"Parser Analytical Data Interchange (ANDI) netCDF files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read CDF file — read_cdf","text":"","code":"read_cdf( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), what = NULL, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE, ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read CDF file — read_cdf","text":"path Path ANDI netCDF file. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. 2D files, \"long\" format returns retention time first column data.frame matrix \"wide\" format returns retention time rownames object. ANDI chrom files, whether extract chroms /peak_table. ANDI ms files, whether extract MS1 scans (MS1) total ion chromatogram (TIC). read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. ... Additional arguments parser. ms_format argument can used specify whether return mass spectra list format data.frame.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read CDF file — read_cdf","text":"chromatogram format specified format_out data_format arguments.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read CDF file — read_cdf","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'ChemStation' CH files — read_chemstation_ch","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"Agilent .ch files come several different varieties. parser can automatically detect read several versions files 'Agilent ChemStation' 'Agilent OpenLab', including versions 30 130, generally produced ultraviolet detectors, well 81, 179, 181 generally produced flame ionization (FID) detectors.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"","code":"read_chemstation_ch( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"path Path .ch file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data scaling factor present file. Defaults TRUE. 'MassHunter' seems ignore scaling factor least types 'ChemStation' files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"2D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatogram returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"function adapted Chromatography Toolbox (© James Dillon 2014).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":null,"dir":"Reference","previous_headings":"","what":"Read Chemstation CSV — read_chemstation_csv","title":"Read Chemstation CSV — read_chemstation_csv","text":"Reads 'Agilent Chemstation' CSV files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read Chemstation CSV — read_chemstation_csv","text":"","code":"read_chemstation_csv( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read Chemstation CSV — read_chemstation_csv","text":"path Path file format_out Class output. Either matrix, data.frame, data.table.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read Chemstation CSV — read_chemstation_csv","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read Chemstation CSV — read_chemstation_csv","text":"'Agilent Chemstation' CSV files encoded UTF-16.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read Chemstation CSV — read_chemstation_csv","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"Parser read Agilent Chemstation 'MSD Spectral Files' beginning x01/x32/x00/x00.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"","code":"read_chemstation_ms( path, what = c(\"MS1\", \"BPC\", \"TIC\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"path Path .ms file stream get: current options MS1, BPC /TIC. stream specified, function return streams. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"2D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatogram returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"Many thanks Evan Shi Eugene Kwan providing helpful information structure files rainbow documentation.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"Read 'Agilent ChemStation' Reports","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"","code":"read_chemstation_reports( paths, data_format = c(\"chromatographr\", \"original\"), metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"paths Paths 'ChemStation' report files. data_format Format output data. Either chromatographr chemstation. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"data.frame containing information specified 'ChemStation' report.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'ChemStation' DAD files — read_chemstation_uv","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"Agilent .uv files come several different varieties. parser can automatically detect read several versions files 'Agilent ChemStation' 'Agilent OpenLab', including versions 31 131.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"","code":"read_chemstation_uv( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"path Path .uv file. format_out Class output. Either matrix, data.frame, data.table. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data scaling factor present file. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"3D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows wavelengths columns. long format requested, three columns returned: one retention time, one wavelength one intensity. format_out argument determines whether chromatogram returned matrix data.frame. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"function adapted parser rainbow project licensed GPL 3 Evan Shi https://rainbow-api.readthedocs.io/en/latest/agilent/uv.html.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":null,"dir":"Reference","previous_headings":"","what":"Chromeleon ASCII reader — read_chromeleon","title":"Chromeleon ASCII reader — read_chromeleon","text":"Reads 'Thermo Fisher Chromeleon™ CDS' files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Chromeleon ASCII reader — read_chromeleon","text":"","code":"read_chromeleon( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Chromeleon ASCII reader — read_chromeleon","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Chromeleon ASCII reader — read_chromeleon","text":"chromatogram format specified format_out. (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Chromeleon ASCII reader — read_chromeleon","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":null,"dir":"Reference","previous_headings":"","what":"Read Chromatograms — read_chroms","title":"Read Chromatograms — read_chroms","text":"Reads chromatograms specified folders vector paths using either internal parser bindings external library, Aston, Entab, ThermoRawFileParser, OpenChrom, rainbow.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read Chromatograms — read_chroms","text":"","code":"read_chroms( paths, format_in = c(\"agilent_d\", \"agilent_dx\", \"asm\", \"chemstation\", \"chemstation_fid\", \"chemstation_ch\", \"chemstation_csv\", \"chemstation_ms\", \"chemstation_uv\", \"masshunter_dad\", \"chromeleon_uv\", \"mzml\", \"mzxml\", \"mdf\", \"shimadzu_ascii\", \"shimadzu_dad\", \"shimadzu_fid\", \"shimadzu_gcd\", \"shimadzu_qgd\", \"shimadzu_lcd\", \"thermoraw\", \"varian_sms\", \"waters_arw\", \"waters_raw\", \"msd\", \"csd\", \"wsd\", \"other\"), find_files, pattern = NULL, parser = c(\"\", \"chromconverter\", \"aston\", \"entab\", \"thermoraw\", \"openchrom\", \"rainbow\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), path_out = NULL, export_format = c(\"\", \"csv\", \"chemstation_csv\", \"cdf\", \"mzml\", \"animl\"), force = FALSE, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), progress_bar, cl = 1, verbose = getOption(\"verbose\"), sample_names = NULL, dat = NULL, ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read Chromatograms — read_chroms","text":"paths Paths data files directories containing files. format_in Format files imported/converted. Current options include: agilent_d, agilent_dx, chemstation, chemstation_uv, chemstation_ch, chemstation_csv, chemstation_ms, masshunter, masshunter_dad, chromeleon_uv, shimadzu_ascii, shimadzu_fid, shimadzu_dad, thermoraw, waters_arw, waters_raw, mzml, mzxml, cdf, mdf, msd, csd, wsd, . find_files Logical. Set TRUE (default) providing function folder vector folders containing files. Otherwise, set toFALSE. pattern pattern (e.g. file extension). Defaults NULL, case file extension deduced format_in. parser parser use (optional). Current option chromconverter, aston, entab, thermoraw, openchrom, rainbow. format_out Class output. Either matrix, data.frame, data.table. data_format Whether output data wide long format. Either wide long. path_out Path exporting files. path specified, files export current working directory. export_format Export format. Currently options include .csv, chemstation_csv (utf-16 encoding), cdf, unless using OpenChrom parsers, two additional options: mzml, animl. force Logical. Whether overwrite files exporting. Defaults FALSE. read_metadata Logical, whether attach metadata (available). Defaults TRUE. metadata_format Format output metadata. Either chromconverter raw. progress_bar Logical. Whether show progress bar. Defaults TRUE pbapply installed. cl Argument pbapply specifying number clusters use cluster object created makeCluster. Defaults 1. verbose Logical. Whether print output external parsers R console. sample_names optional character vector sample names. Otherwise sample names default basename specified files. dat Existing list chromatograms append results. (Defaults NULL). ... Additional arguments parser.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read Chromatograms — read_chroms","text":"list chromatograms matrix, data.frame, data.table format, according value format_out. Chromatograms may returned either wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read Chromatograms — read_chroms","text":"Provides unified interface chromConverter parsers. Currently recognizes 'Agilent ChemStation' (.uv, .ch, .dx), 'Agilent MassHunter' (.dad), 'Thermo RAW' (.raw), 'Waters ARW' (.arw), 'Waters RAW' (.raw), 'Chromeleon ASCII' (.txt), 'Shimadzu ASCII' (.txt), 'Shimadzu GCD', 'Shimadzu LCD' (DAD chromatogram streams) 'Shimadzu QGD' files. Also, wraps 'OpenChrom' parsers, include many additional formats. use 'Entab', 'ThermoRawFileParser', 'OpenChrom' parsers, must manually installed. Please see instructions README details. paths individual files provided, read_chroms try infer file format select appropriate parser. However, providing paths directories, file format must specified using format_in argument.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Read Chromatograms — read_chroms","text":"export_format provided, chromatograms exported specified format specified folder specified path_out. Files can currently converted csv, mzml, cdf format. openchrom parser selected, ANIML available additional option.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read Chromatograms — read_chroms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"ref-examples","dir":"Reference","previous_headings":"","what":"Examples","title":"Read Chromatograms — read_chroms","text":"","code":"if (FALSE) { # interactive() path <- \"tests/testthat/testdata/dad1.uv\" chr <- read_chroms(path, find_files = FALSE, format_in = \"chemstation_uv\") }"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Lumex' MDF files into R — read_mdf","title":"Read 'Lumex' MDF files into R — read_mdf","text":"Read 'Lumex' MDF files R","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Lumex' MDF files into R — read_mdf","text":"","code":"read_mdf( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Lumex' MDF files into R — read_mdf","text":"path path 'Lumex' .mdf file. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Whether read metadata file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Lumex' MDF files into R — read_mdf","text":"chromatogram format specified format_out data_format arguments (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Lumex' MDF files into R — read_mdf","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":null,"dir":"Reference","previous_headings":"","what":"Extract data from mzML files — read_mzml","title":"Extract data from mzML files — read_mzml","text":"Extracts data mzML files using parsers either RaMS mzR. RaMS parser (default) return data tidy (long) format. mzR parser return data wide format. Currently mzR-based parser configured return DAD data.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Extract data from mzML files — read_mzml","text":"","code":"read_mzml( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"long\", \"wide\"), parser = c(\"RaMS\", \"mzR\"), what = c(\"MS1\", \"MS2\", \"BPC\", \"TIC\", \"DAD\", \"chroms\", \"metadata\", \"everything\"), verbose = FALSE, ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Extract data from mzML files — read_mzml","text":"path path file format_out Class output. applies mzR selected. Either matrix, data.frame, data.table. RaMS return list data.tables regardless selected . data_format Whether return data wide long format. parser parser use. Either RaMS mzR. types data return (argument grabMSdata. Options include MS1, MS2, BPC, TIC, DAD, chroms, metadata, everything). verbose Argument grabMSdata controlling verbosity. ... Additional arguments grabMSdata.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Extract data from mzML files — read_mzml","text":"RaMS selected, function return list \"tidy\" data.table objects. mzR selected, function return chromatogram matrix data.frame format according value format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Extract data from mzML files — read_mzml","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":null,"dir":"Reference","previous_headings":"","what":"Read peak lists — read_peaklist","title":"Read peak lists — read_peaklist","text":"Reads peak lists specified folders vector paths.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read peak lists — read_peaklist","text":"","code":"read_peaklist( paths, find_files, format_in = c(\"chemstation\", \"shimadzu_fid\", \"shimadzu_dad\"), pattern = NULL, data_format = c(\"chromatographr\", \"original\"), metadata_format = c(\"chromconverter\", \"raw\"), read_metadata = TRUE, progress_bar, cl = 1 )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read peak lists — read_peaklist","text":"paths paths files folders containing files. find_files Logical. Set TRUE (default) providing function folder vector folders containing files. Otherwise, set toFALSE. format_in Format files imported/converted. Current options include: chemstation shimadzu. pattern pattern (e.g. file extension). Defaults NULL, case file extension deduced format_in. data_format Either chromatographr original. metadata_format Format output metadata. Either chromconverter raw. read_metadata Logical, whether attach metadata (available). Defaults TRUE. progress_bar Logical. Whether show progress bar. Defaults TRUE pbapply installed. cl Argument pbapply specifying number clusters use cluster object created makeCluster. Defaults 1.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read peak lists — read_peaklist","text":"list chromatograms matrix data.frame format, according value format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read peak lists — read_peaklist","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"ref-examples","dir":"Reference","previous_headings":"","what":"Examples","title":"Read peak lists — read_peaklist","text":"","code":"if (FALSE) { # interactive() path <- \"tests/testthat/testdata/dad1.uv\" chr <- read_chroms(path, find_files = FALSE, format_in = \"chemstation_uv\") }"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu ascii reader — read_shimadzu","title":"Shimadzu ascii reader — read_shimadzu","text":"Reads 'Shimadzu' ascii files R. files can exported 'Shimadzu LabSolutions' right clicking samples sample list selecting File Conversion:Convert ASCII.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu ascii reader — read_shimadzu","text":"","code":"read_shimadzu( path, what = \"chroms\", format_in = NULL, include = c(\"fid\", \"lc\", \"dad\", \"uv\", \"tic\"), format_out = c(\"matrix\", \"data.frame\"), data_format = c(\"wide\", \"long\"), peaktable_format = c(\"chromatographr\", \"original\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), ms_format = c(\"data.frame\", \"list\"), collapse = TRUE, scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu ascii reader — read_shimadzu","text":"path Path file. Whether extract chromatograms (chroms), peak_table, /ms_spectra. Accepts multiple arguments. format_in argument deprecated longer required. include chromatograms include. Options fid, dad, uv, tic, status. format_out R format. Either matrix data.frame. data_format Whether return data wide long format. peaktable_format Whether return peak tables chromatographr original format. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw. ms_format Whether return mass spectral data (long) data.frame list. collapse Logical. Whether collapse lists contain single element. scale Whether scale data scaling factor present file. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu ascii reader — read_shimadzu","text":"nested list elements specified file, top levels chromatograms, peak tables, /mass spectra according value . Chromatograms returned format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu ascii reader — read_shimadzu","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu GCD parser — read_shimadzu_gcd","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"Read chromatogram data streams 'Shimadzu' GCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"","code":"read_shimadzu_gcd( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"path Path GCD file. format_out Class output. Either matrix, data.frame, data.table. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"2D chromatogram chromatogram stream matrix data.frame format, according value format_out. chromatograms returned wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"parser read chromatogram data streams 'Shimadzu' .gcd files. GCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. PDA data encoded stream called PDA 3D Raw Data:3D Raw Data. GCD data stream contains segment retention time, beginning 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying sampling interval milliseconds. 4 bytes: Little-endian integer specifying number values file. 4 bytes: Little-endian integer specifying total number bytes file (However, seems bytes?). 8 bytes 00s header, data simply encoded 64-bit (little-endian) floating-point numbers. retention times can (approximately?) derived number values sampling interval encoded header.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"parser experimental may still need work. yet able interpret much metadata files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu LCD parser — read_shimadzu_lcd","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"Read 3D PDA 2D chromatogram streams 'Shimadzu' LCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"","code":"read_shimadzu_lcd( path, what, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), scale = TRUE, collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"path Path LCD file. stream get: current options pda, chromatograms chroms, tic. stream specified, function default pda PDA stream present. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data value factor. Defaults TRUE. collapse Logical. Whether collapse lists contain single element.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"chromatogram list chromatograms format specified data_format format_out. data_format wide, chromatogram(s) returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatograms returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"parser read data 'Shimadzu' .lcd files. LCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. PDA data encoded stream called PDA 3D Raw Data:3D Raw Data. PDA data stream contains segment retention time, beginning 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying sampling rate along time axis 2D streams along spectral axis (?) PDA streams. 4 bytes: Little-endian integer specifying number values file (2D data) number wavelength values segment (3D data). 4 bytes: Little-endian integer specifying total number bytes segment. 8 bytes 00. 3D data, time point divided two sub-segments, begin end integer specifying length sub-segment bytes. 2D data structured similarly segments. known values LCD data streams little-endian data delta-encoded. first hexadecimal digit value sign digit specifying number bytes delta whether value positive negative. sign digit represents number hexadecimal digits used encode value. Even numbered sign digits correspond positive deltas, whereas odd numbers indicate negative deltas. Positive values encoded little-endian integers, negative values encoded two's complements. value position derived subtracting delta position previous value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"parsing date-time format seems little , since acquisition times diverge slightly ASCII file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Shimadzu' QGD — read_shimadzu_qgd","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"Parser 'Shimadzu GCMSsolution' .qgd files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"","code":"read_shimadzu_qgd( path, what = c(\"MS1\", \"TIC\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"path Path 'Shimadzu' QGD file. stream get: current options MS1 /TIC. stream specified, function return streams. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"2D chromatogram chromatogram stream matrix, data.frame, data.table format, according value format_out. chromatograms returned wide long format according value data_format. chromatogram list chromatograms format specified data_format format_out. data_format wide, chromatogram(s) returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatograms returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"MS data stored \"GCMS Raw Data\" storage, contains MS Raw Data stream MS scans, TIC Data stream containing total ion chromatogram, Retention Time stream containing retention times. known values little-endian. retention time stream simple array 4-byte integers. TIC stream simple array 8-byte integers corresponding retention times stored retention time stream. MS Raw Data stream blocked retention time. block begins header consisting following elements: scan number (4-byte integer) retention time (4-byte integer) unknown (12-bytes) number bytes intensity values (2-byte integer) unknown (8-bytes) header, rest block consists array mz values intensities. mz values encoded 2-byte integers mz value scaled factor 20. Intensities encoded (unsigned) integers variable byte-length defined value header.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"parser experimental may still need work. yet able interpret much metadata files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu LCD 2D parser — read_sz_lcd_2d","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"Read 2D PDA data stream 'Shimadzu' LCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"","code":"read_sz_lcd_2d( path, format_out = \"data.frame\", data_format = \"wide\", read_metadata = TRUE, metadata_format = \"shimadzu_lcd\", scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"path Path LCD file. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data value factor.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"One 2D chromatograms chromatogram streams matrix data.frame format, according value format_out. multiple chromatograms found, returned list matrices data.frames. chromatograms returned wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"parser read chromatogram data streams 'Shimadzu' .lcd files. LCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. chromatogram data encoded streams titled LSS Raw Data:Chromatogram Ch<#>. chromatogram data streams begin 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying sampling rate (milliseconds). 4 bytes: Little-endian integer specifying number values file. 4 bytes: Little-endian integer specifying total number bytes file. 8 bytes 00s segment divided multiple sub-segments, begin end integer specifying length sub-segment bytes. known values data stream little-endian data delta-encoded. first hexadecimal digit value sign digit specifying number bytes delta whether value positive negative. sign digit represents number hexadecimal digits used encode value. Even numbered sign digits correspond positive deltas, whereas odd numbers indicate negative deltas. Positive values encoded little-endian integers, negative values encoded two's complements. value position derived subtracting delta position previous value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu LCD 3D parser — read_sz_lcd_3d","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"Read 3D PDA data stream 'Shimadzu' LCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"","code":"read_sz_lcd_3d( path, format_out = \"matrix\", data_format = \"wide\", read_metadata = TRUE, metadata_format = \"shimadzu_lcd\", scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"path Path LCD file. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data value factor.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"3D chromatogram PDA stream matrix data.frame format, according value format_out. chromatograms returned wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"parser read PDA data 'Shimadzu' .lcd files. LCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. PDA data encoded stream called PDA 3D Raw Data:3D Raw Data. PDA data stream contains segment retention time, beginning 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying wavelength bandwidth (?). 4 bytes: Little-endian integer specifying number wavelength values segment. 4 bytes: Little-endian integer specifying total number bytes segment. 8 bytes 00s segment divided two sub-segments, begin end integer specifying length sub-segment bytes. known values data stream little-endian data delta-encoded. first hexadecimal digit value sign digit specifying number bytes delta whether value positive negative. sign digit represents number hexadecimal digits used encode value. Even numbered sign digits correspond positive deltas, whereas odd numbers indicate negative deltas. Positive values encoded little-endian integers, negative values encoded two's complements. value position derived subtracting delta position previous value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":null,"dir":"Reference","previous_headings":"","what":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Converts ThermoRawFiles mzML calling ThermoRawFileParser command-line.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"","code":"read_thermoraw( path, path_out = NULL, format_out = c(\"matrix\", \"data.frame\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), verbose = getOption(\"verbose\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"path Path file. path_out Path directory export mzML files. path_out specified, temp directory used. format_out R format. Either matrix data.frame. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw. verbose Logical. Whether print output OpenChrom console.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"chromatogram format specified format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"use function, ThermoRawFileParser must manually installed.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Exports chromatograms mzML format folder specified path_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"references","dir":"Reference","previous_headings":"","what":"References","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Hulstaert Niels, Jim Shofstahl, Timo Sachsenberg, Mathias Walzer, Harald Barsnes, Lennart Martens, Yasset Perez-Riverol. ThermoRawFileParser: Modular, Scalable, Cross-Platform RAW File Conversion. Journal Proteome Research 19, . 1 (January 3, 2020): 537–42. doi:10.1021/acs.jproteome.9b00328 .","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"ref-examples","dir":"Reference","previous_headings":"","what":"Examples","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"","code":"if (FALSE) { # \\dontrun{ read_thermoraw(path) } # }"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"Read 'Varian' peaklist. Read peak list(s) 'Varian MS Workstation'.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"","code":"read_varian_peaklist(path)"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"path Path Varian peak list file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"data.frame containing information specified report.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Varian' SMS — read_varian_sms","title":"Read 'Varian' SMS — read_varian_sms","text":"Parser reading 'Varian Workstation' SMS file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Varian' SMS — read_varian_sms","text":"","code":"read_varian_sms( path, what = c(\"MS1\", \"TIC\", \"BPC\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Varian' SMS — read_varian_sms","text":"path Path .SMS files. Whether extract chromatograms (chroms) /MS1 data. Accepts multiple arguments. format_out R format. Either matrix data.frame. data_format Whether return data wide long format. read_metadata Whether read metadata file. (just placeholder now yet support parsing metadata). collapse Logical. Whether collapse lists contain single element.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Varian' SMS — read_varian_sms","text":"chromatogram list chromatograms specified file, according value . Chromatograms returned format specified format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read 'Varian' SMS — read_varian_sms","text":"Varian SMS files begin \"DIRECTORY\" offsets section. first section (files able inspect) \"MSData\" generally beginning byte 3238. MSdata section turn divided two sections. first section (short header) contains chromatogram data. information found section includes scan numbers, retention times, (64-bit floats), total ion chromatogram (TIC), base peak chromatogram (BPC), ion time (µsec), well unidentified information. scan numbers intensities TIC BPC stored 4-byte little-endian integers. Following section, series null bytes, followed series segments containing mass spectra. encoding scheme mass spectra somewhat complicated. scan represented series values variable length separated next scan two null bytes. Within segments, values paired. first value pair represents delta-encoded mass--charge ratio, second value represents intensity signal. Values section variable-length, big-endian integers encoded using selective bit masking based leading digit (d) value. length integer seems determined 1 + (d %/% 4). Integers beginning digits 0-3 simple 2-byte integers. d >= 4, values determined masking preserve lowest n bits according following scheme: d = 4-5 -> preserve lowest 13 bits d = 6-7 -> preserve lowest 14 bits d = 8-9 -> preserve lowest 21 bits d = 10-11 (-B) -> preserve lowest 22 bits d = 12-13 (C-D) -> preserve lowest 27 bits d = 14-15 (E-F) -> preserve lowest 28 bits (?)","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Varian' SMS — read_varian_sms","text":"still limited support extraction metadata file format. Also, timestamp conversions quite right.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Varian' SMS — read_varian_sms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":null,"dir":"Reference","previous_headings":"","what":"Waters ascii (.arw) reader — read_waters_arw","title":"Waters ascii (.arw) reader — read_waters_arw","text":"Reads 'Waters ARW' files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Waters ascii (.arw) reader — read_waters_arw","text":"","code":"read_waters_arw( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Waters ascii (.arw) reader — read_waters_arw","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Waters ascii (.arw) reader — read_waters_arw","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Waters ascii (.arw) reader — read_waters_arw","text":"help exporting files Empower, can consult official documentation: How_to_export_3D_raw_data_from_Empower.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Waters ascii (.arw) reader — read_waters_arw","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Waters' RAW — read_waters_raw","title":"Read 'Waters' RAW — read_waters_raw","text":"Parser reading 'Waters MassLynx (.raw) files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Waters' RAW — read_waters_raw","text":"","code":"read_waters_raw( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Waters' RAW — read_waters_raw","text":"path Path .raw file. format_out Class output. Either matrix, data.frame, data.table. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Waters' RAW — read_waters_raw","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Waters' RAW — read_waters_raw","text":"now parser reads 1D chromatograms (mass spectra DAD data) support parsing metadata 'Waters' RAW files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Waters' RAW — read_waters_raw","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":null,"dir":"Reference","previous_headings":"","what":"Converter for 'Agilent MassHunter' UV files — sp_converter","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"Converts single chromatogram MassHunter .sp format R data.frame.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"","code":"sp_converter( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether read metadata attach chromatogram. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"chromatogram data.frame format (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"Uses Aston file parser.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":null,"dir":"Reference","previous_headings":"","what":"Converter for 'Agilent ChemStation' UV files — uv_converter","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"Converts single chromatogram ChemStation .uv format R data.frame.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"","code":"uv_converter( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), correction = TRUE, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. correction Logical. Whether apply empirical correction. Defaults TRUE. read_metadata Logical. Whether read metadata attach chromatogram. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"chromatogram data.frame format (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"Uses Aston file parser.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":null,"dir":"Reference","previous_headings":"","what":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"Exports chromatogram ANDI (Analytical Data Interchange) chromatography format (ASTM E1947-98). format can accommodate unidimensional data. two-dimensional chromatograms, column export can specified using lambda argument. Otherwise, warning generated first column chromatogram exported.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"","code":"write_andi_chrom(x, path_out, sample_name = NULL, lambda = NULL, force = FALSE)"},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"x chromatogram (wide) format. path_out path write file. sample_name name file. name provided, name derived sample_name attribute. lambda wavelength export (2-dimensional chromatograms). Must string matching one columns x index column export. force Whether overwrite existing files specified path. Defaults FALSE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"return value. function called side effects.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"Exports chromatogram ANDI chromatography format (netCDF) directory specified path_out. file named according value sample_name. sample_name provided, sample_name attribute used exists.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":null,"dir":"Reference","previous_headings":"","what":"Export chromatograms — write_chroms","title":"Export chromatograms — write_chroms","text":"Export chromatograms","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Export chromatograms — write_chroms","text":"","code":"write_chroms( chrom_list, path_out, export_format = c(\"mzml\", \"cdf\", \"csv\"), what = \"\", force = FALSE, show_progress = TRUE, verbose = getOption(\"verbose\"), ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Export chromatograms — write_chroms","text":"chrom_list list chromatograms. path_out Path directory writing files. export_format Format export files: either mzml, cdf, csv. write. Either MS1 chrom. force Logical. Whether overwrite existing files. Defaults TRUE. show_progress Logical. Whether show progress bar. Defaults TRUE. verbose Logical. Whether print verbose output. ... Additional arguments write function.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Export chromatograms — write_chroms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":null,"dir":"Reference","previous_headings":"","what":"Write mzML — write_mzml","title":"Write mzML — write_mzml","text":"function constructs mzML files using streaming XML-writing approach, generating writing XML content directly file connection. method memory-efficient fast, making well-suited large mzML files. However, may less flexible DOM-based methods handling complex XML structures large-scale modifications writing begun.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Write mzML — write_mzml","text":"","code":"write_mzml( data, path_out, sample_name = NULL, what = NULL, instrument_info = NULL, compress = TRUE, indexed = TRUE, force = FALSE, show_progress = TRUE, verbose = getOption(\"verbose\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Write mzML — write_mzml","text":"data List data.frames data.tables containing spectral data. path_out path write file. sample_name name file. name provided, name derived sample_name attribute. streams write mzML: \"ms1\", \"ms2\", \"tic\", \"bpc\", /\"dad\". instrument_info Instrument info write mzML file. compress Logical. Whether use zlib compression. Defaults TRUE. indexed Logical. Whether write indexed mzML. Defaults TRUE. force Logical. Whether overwrite existing files path_out. Defaults FALSE. show_progress Logical. Whether show progress bar. Defaults TRUE. verbose Logical. Whether print status messages.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Write mzML — write_mzml","text":"Invisibly returns path written mzML file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Write mzML — write_mzml","text":"function constructs mzML files writing XML strings directly file connection. approach memory-efficient fast, may less flexible handling complex XML structures. function supports writing various types spectral data including MS1, MS2, TIC (Total Ion Current), BPC (Base Peak Chromatogram), DAD (Diode Array Detector) data. indexed = TRUE, function create indexed mzML file, allows faster random access spectra.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Write mzML — write_mzml","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-071","dir":"Changelog","previous_headings":"","what":"chromConverter 0.7.1","title":"chromConverter 0.7.1","text":"Fix automatic file detection directories (e.g., Waters .raw Agilent .D)","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"major-features-0-7-0","dir":"Changelog","previous_headings":"","what":"Major features","title":"chromConverter 0.7.0","text":"Added preliminary support ‘Varian Worktation’ (.sms) format read_varian_sms function. Added preliminary support ‘Shimadzu QGD’ GCMS files read_shimadzu_qgd function. Added preliminary support ‘Allotrope Simple Model’ (ASM) 2D chromatography date files. Added support reading multiple files ‘Agilent’ .D directories read_agilent_d function. Added internal parser ‘Agilent ChemStation’ MS files read_agilent_ms. Added option write mzML files (MS1 DAD). Added option write ANDI MS netCDF files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"ui-changes-0-7-0","dir":"Changelog","previous_headings":"","what":"UI changes","title":"chromConverter 0.7.0","text":"Changed order arguments read_chroms format_in comes second path. Removed extraneous export argument read_chroms. export files, now need provide argument export_format. Updated handling multiple chromatograms read_shimadzu_lcd. function now returns list named chromatograms data_format == \"wide\" returns multiple chromatograms single data.frame data_format == \"long\". Added scale argument read_chemstation_uv read_shimadzu_ascii toggle scaling chromatograms. Harmonized file path arguments across parser functions changing file arguments path. Harmonized column names output across parsers. Small changes read_cdf UI: now defaults NULL defaults coded downstream read_andi_chrom read_andi_ms functions. Added extra verbosity read_chroms verbose TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-improvements-0-7-0","dir":"Changelog","previous_headings":"","what":"Other improvements","title":"chromConverter 0.7.0","text":"Fixed bug causing reticulate attempt reinstallation Aston every time package loaded (due case sensitivity packages names reticulate::configure_environment). Added data.table option format_out. Improved speed read_shimadzu_lcd dealing twos-complements sensibly. Start ‘Shimadzu LCD’ chromatogram retention times dwell time (DLT). Give temp files generated Shimadzu OLE files informative names. Use ‘Output Date’ field instead ‘Type’ find ‘Shimadzu’ ASCII delimiter. (seems generalizable solution since files contain ‘Type’ field). Allow relative paths path_out using ‘ThermoRawFileParser’ ‘OpenChrom’ parsers. Allow creation new directories read_chroms path_out exist. Fixed bug affecting mdf files lacking null bytes file header. Eliminated ‘magrittr’ dependency using xpath parse XML straightforward fashion. Fixed bug causing truncation sample names first period read_chroms. Modified export_csv function label first column wide-format chromatograms. Improved handling metadata rainbow parsers. Fixed error providing single chromatogram . Added metadata field source checksum (SHA1) source file format. minor changes metadata fields. Return times Coordinated Univeral Time (UTC) consistency across systems.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-064","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.4","title":"chromConverter 0.6.4","text":"Added support ‘Agilent ChemStation’ version 8 (.ch) files read_chemstation_ch. Fixed failure return units Agilent Chemstation files due typo. Fixed bug causing “spill-” Agilent metadata fields. Fixed bug causing failure read ChemStation CSV files () mac machines specifying little-endian format call read.csv.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-063","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.3","title":"chromConverter 0.6.3","text":"Added parser total ion chromatogram (TIC) stream ‘Shimadzu’ LCD files. Added additional support extraction metadata ‘Shimadzu’ LCD GCD files. Updated docs read_shimadzu_lcd_2d accurately reflect file structure. Added scale argument read_chemstation_ch read_shimadzu_lcd toggle scaling chromatograms resolving (#30).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-062","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.2","title":"chromConverter 0.6.2","text":"Updated read_shimadzu_lcd function correctly determine number blocks “Shimadzu” LCD PDA stream (thanks kco-hereon). Added preliminary support 2D data streams “Shimadzu LCD” files. Added parser ‘Shimadzu GCD’ files (GC-FID).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-061","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.1","title":"chromConverter 0.6.1","text":"Added support ‘Shimadzu’ ASCII files ‘[LC Chromatogram…]’ sub-header. Correct ‘Shimadzu’ ASCII chromatograms ‘Intensity Multiplier’ provided. Fixed bug logic export_cdfs function permit conversion files lacking metadata. Minor, cosmetic changes documentation.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-060","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.0","title":"chromConverter 0.6.0","text":"Added parser reading ANDI MS (.cdf) files. Fixed parsing Agilent MS files ‘entab’ reader. Fixed read_chemstation_ch parser correctly read “Mustang Chemstation” 179 files 8-byte encoding. Re-factored read_shimadzu function added support new types chromatograms (e.g. status, uv total ion chromatograms). Added support reading multiple types chromatograms . Added support reading MS spectra ‘Shimadzu’ ascii files using read_shimadzu. Exported write_cdf added additional arguments (lambda force) greater control users. Added internal parser 1D ‘Waters RAW’ chromatograms (read_waters_raw). Added collapse argument call_rainbow collapse superfluous lists. Added ... argument read_chroms supplying additional arguments parsers. Added alias read_chroms reading mzxml files RaMS. Added precision argument call_rainbow control number digits “mz” values rounded . (Also changed default behavior values rounded one decimal default). Fixed bug read_shimadzu_lcd Windows due issue passing escaped paths Python. Updated documentation various functions.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-0-5-0","dir":"Changelog","previous_headings":"","what":"New features","title":"chromConverter 0.5.0","text":"Added support parallel processing pbapply package. (Note: pbapply package must manually installed enable parallel processing). Added internal parser ‘Agilent ChemStation’ version 31 files (read_chemstation_uv function). Added support ‘Agilent OpenLab’ version 131 files internal parser. Added preliminary support reading ‘Agilent’ (.dx) files (read_agilentdx function). Added support reading ‘ChemStation’ REPORT files. Added parser Shimadzu .lcd files read_shimadzu_lcd function. PDA stream (MS) currently supported. Added read_peaklist function reading peak lists. Currently ‘Agilent ChemStation’ ‘Shimadzu ASCII’ formats supported. Added verbose argument control console output external parsers (‘OpenChrom’ ‘ThermoRawFileParser’).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-improvements-0-5-0","dir":"Changelog","previous_headings":"","what":"Other Improvements","title":"chromConverter 0.5.0","text":"Improved automatic filetype detection read_chroms. Refactored read_thermoraw function simplify paths. thermoraw openchrom parsers now use proper temp directory export directory specified path_out argument. Re-factored reshape_chroms, speeding conversion wide long format. Added additional tests, attaining 82% test coverage. Changed default openchrom export format mzml. Minor changes metadata fields better standardize results across different file formats parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"bug-fixes-0-5-0","dir":"Changelog","previous_headings":"","what":"Bug fixes","title":"chromConverter 0.5.0","text":"Corrected ‘Shimadzu’ DAD parser reads wavelengths file instead inferring . Fixed bug causing failure ‘Shimadzu’ ascii parser (== \"peak_table\" read_metadata == TRUE). Fixed bug causing ‘MDF’ files export data.frames format_out == \"matrix\". Fixed misleading data_format attributes ‘Waters ARW’ ‘Chromeleon’ parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-043","dir":"Changelog","previous_headings":"","what":"chromConverter 0.4.3","title":"chromConverter 0.4.3","text":"Fixed bug chemstation_ch parser (version 130) (#17)","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-042","dir":"Changelog","previous_headings":"","what":"chromConverter 0.4.2","title":"chromConverter 0.4.2","text":"Added support parsing “Waters” ascii (.arw) PDA files.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-0-4-1","dir":"Changelog","previous_headings":"","what":"New features","title":"chromConverter 0.4.1","text":"Added support “ChemStation” UV (.ch) files (version 30).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"minor-improvements-0-4-1","dir":"Changelog","previous_headings":"","what":"Minor improvements","title":"chromConverter 0.4.1","text":"Updated read_chromeleon better deal comma decimal separators metadata. Updated read_chromeleon deal datetime formats. Updated read_chromeleon deal unicode microliters. Added tests rainbow parser read_chemstation_ch.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"bug-fixes-0-4-1","dir":"Changelog","previous_headings":"","what":"Bug fixes","title":"chromConverter 0.4.1","text":"Fixed bug preventing compilation PDF manual. Fixed new bug causing failure correctly read names ‘ChemStation’ files .D directory.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-0-4-0","dir":"Changelog","previous_headings":"","what":"New features","title":"chromConverter 0.4.0","text":"Added parser ANDI chrom cdf files read_cdf function. Added parser ‘Lumex’ .mdf files read_mdf function. Added additional options file exports. New options writing chemstation_csv (utf-16) ANDI chrom cdf files read_chroms. Added preliminary support automatic filetype detection read_chroms providing direct paths files (.e. find_files == FALSE). Added read_varian_peaklist function reading peak lists ‘Varian MS Workstation’.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-improvements-and-bug-fixes-0-4-0","dir":"Changelog","previous_headings":"","what":"Other improvements and bug fixes:","title":"chromConverter 0.4.0","text":"Added wide long data_format options 2D data, wide format option writes retention times rownames matrix data.frame. long format writes retention times first column object. Updated configure_openchrom better discovery ‘OpenChrom’ path added path argument directly specifying path ‘OpenChrom’. Slightly restructured metadata fields. Added source_file field track data origin. Standardized datetime stamps always converted POSIXct format. Now use fs package parsing paths, eliminating buggy check_paths function. Fixed bug causing sloppy ‘ChemStation’ FID metadata. Fixed bug caused padding ‘ChemStation 130’ files extra zeros. Added additional tests.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-033","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.3","title":"chromConverter 0.3.3","text":"Added R-based parser “ChemStation” UV (.uv) files (version 131) read_chemstation_uv function. Added extract_metadata function extracting metadata list chromatograms returning data.frame tibble. Added progress_bar option read_chroms. Updated reshape_chroms reshape_chrom allow switching “wide” “long” formats. Added wide format option read_mzml. Added automatic detection file formats read_chroms. Minor changes storage metadata attributes purpose simplification. Fixed bug preventing removal file extensions ‘Agilent’ data using read_chroms. Standardized run date/time metadata POSIXct format. Minor updates documentation.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-032","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.2","title":"chromConverter 0.3.2","text":"Fix ‘Shimadzu’ ascii parser can cope variable entries PDA header.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-031","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.1","title":"chromConverter 0.3.1","text":"Added support “ChemStation” UV (.ch) files (version 130). Added provisional support “ChemStation” FID (version 8). Changed name read_chemstation_fid function read_chemstation_ch. Ignore case matching file extensions read_chroms. Added note README configuring RStudio correctly accessing python parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-030","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.0","title":"chromConverter 0.3.0","text":"Fixed bug causing “Chromeleon” metadata parser fail. Fixed bug “ChemStation” metadata parser. Changed format_data argument data_format select wide long format. Added support parsing mzML files RaMS. Added support parsing “Agilent” (.D) “Waters” (.raw) files rainbow. Made data_format option available consistently choosing wide long format. Added parser R “ChemStation” FID (.ch) data (versions 81, 179 & 181). Improved error handling loading python modules. Improved error-handling parsing metadata small problems longer error whole program.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"shimadzu-ascii-parser-0-3-0","dir":"Changelog","previous_headings":"","what":"Shimadzu ascii parser","title":"chromConverter 0.3.0","text":"Fixed bug ‘Shimadzu’ ascii parser cutting chromatograms short. Added automatic detection decimal separator reading European-style files. Generalized algorithm acquire ‘Shimadzu’ DAD metadata.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-022","dir":"Changelog","previous_headings":"","what":"chromConverter 0.2.2","title":"chromConverter 0.2.2","text":"Fixed bug call_openchrom can actually find ‘OpenChrom’ path. Fixed bug call_openchrom allow ‘animl’ valid export_format. Allow ‘Thermo RAW’ files parsed using ‘Entab’.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-021","dir":"Changelog","previous_headings":"","what":"chromConverter 0.2.1","title":"chromConverter 0.2.1","text":"CRAN release: 2022-07-11 Added configure_aston function configuration Aston parsers fixed issues configuration Aston.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-and-formats-0-2-0","dir":"Changelog","previous_headings":"","what":"New features and formats","title":"chromConverter 0.2.0","text":"Added read_shimadzu function parsing ‘Shimadzu’ ascii files. Added read_chromeleon function parsing ‘Chromeleon’ ascii files. Added read_thermoraw function convert ‘Thermo Raw’ files calling ‘ThermoRawFileParser’. Added read_mzml function extract UV data mzML files using mzR. Added call_entab function calling Entab parsers. Added call_openchrom call OpenChrom parsers command-line interface. (new functions described can called read_chroms function setting format_in parser arguments). New option read attach instrumental metadata chromatograms setting read_metadata = TRUE read_chroms.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"simplification-of-read_chroms-syntax-0-2-0","dir":"Changelog","previous_headings":"","what":"Simplification of read_chroms syntax","title":"chromConverter 0.2.0","text":"read_chroms now automatically assign parser parser isn’t specified. read_chroms throw informative errors mismatch format_in parser arguments. read_chroms try automatically determine files directories provided.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-changes-to-read_chroms-syntax-0-2-0","dir":"Changelog","previous_headings":"","what":"Other changes to read_chroms syntax:","title":"chromConverter 0.2.0","text":"Dots replaced underscores arguments read_chroms internal syntactical consistency across package. Thus: argument specify format R objects changed R.format format_out. argument specify format exported files changed format.export_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-010","dir":"Changelog","previous_headings":"","what":"chromConverter 0.1.0","title":"chromConverter 0.1.0","text":"CRAN release: 2022-04-19 Added NEWS.md file track changes package.","code":""}] +[{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":null,"dir":"","previous_headings":"","what":"GNU General Public License","title":"GNU General Public License","text":"Version 3, 29 June 2007Copyright © 2007 Free Software Foundation, Inc.  Everyone permitted copy distribute verbatim copies license document, changing allowed.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"preamble","dir":"","previous_headings":"","what":"Preamble","title":"GNU General Public License","text":"GNU General Public License free, copyleft license software kinds works. licenses software practical works designed take away freedom share change works. contrast, GNU General Public License intended guarantee freedom share change versions program–make sure remains free software users. , Free Software Foundation, use GNU General Public License software; applies also work released way authors. can apply programs, . speak free software, referring freedom, price. 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Definitions","title":"GNU General Public License","text":"“License” refers version 3 GNU General Public License. “Copyright” also means copyright-like laws apply kinds works, semiconductor masks. “Program” refers copyrightable work licensed License. licensee addressed “”. “Licensees” “recipients” may individuals organizations. “modify” work means copy adapt part work fashion requiring copyright permission, making exact copy. resulting work called “modified version” earlier work work “based ” earlier work. “covered work” means either unmodified Program work based Program. “propagate” work means anything , without permission, make directly secondarily liable infringement applicable copyright law, except executing computer modifying private copy. Propagation includes copying, distribution (without modification), making available public, countries activities well. “convey” work means kind propagation enables parties make receive copies. 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Nothing License shall construed excluding limiting implied license defenses infringement may otherwise available applicable patent law.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"id_12-no-surrender-of-others-freedom","dir":"","previous_headings":"TERMS AND CONDITIONS","what":"12. No Surrender of Others’ Freedom","title":"GNU General Public License","text":"conditions imposed (whether court order, agreement otherwise) contradict conditions License, excuse conditions License. convey covered work satisfy simultaneously obligations License pertinent obligations, consequence may convey . example, agree terms obligate collect royalty conveying convey Program, way satisfy terms License refrain entirely conveying Program.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"id_13-use-with-the-gnu-affero-general-public-license","dir":"","previous_headings":"TERMS AND CONDITIONS","what":"13. Use with the GNU Affero General Public License","title":"GNU General Public License","text":"Notwithstanding provision License, permission link combine covered work work licensed version 3 GNU Affero General Public License single combined work, convey resulting work. terms License continue apply part covered work, special requirements GNU Affero General Public License, section 13, concerning interaction network apply combination .","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"id_14-revised-versions-of-this-license","dir":"","previous_headings":"TERMS AND CONDITIONS","what":"14. Revised Versions of this License","title":"GNU General Public License","text":"Free Software Foundation may publish revised /new versions GNU General Public License time time. new versions similar spirit present version, may differ detail address new problems concerns. version given distinguishing version number. Program specifies certain numbered version GNU General Public License “later version” applies , option following terms conditions either numbered version later version published Free Software Foundation. Program specify version number GNU General Public License, may choose version ever published Free Software Foundation. Program specifies proxy can decide future versions GNU General Public License can used, proxy’s public statement acceptance version permanently authorizes choose version Program. Later license versions may give additional different permissions. However, additional obligations imposed author copyright holder result choosing follow later version.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"id_15-disclaimer-of-warranty","dir":"","previous_headings":"TERMS AND CONDITIONS","what":"15. Disclaimer of Warranty","title":"GNU General Public License","text":"WARRANTY PROGRAM, EXTENT PERMITTED APPLICABLE LAW. EXCEPT OTHERWISE STATED WRITING COPYRIGHT HOLDERS /PARTIES PROVIDE PROGRAM “” WITHOUT WARRANTY KIND, EITHER EXPRESSED IMPLIED, INCLUDING, LIMITED , IMPLIED WARRANTIES MERCHANTABILITY FITNESS PARTICULAR PURPOSE. ENTIRE RISK QUALITY PERFORMANCE PROGRAM . PROGRAM PROVE DEFECTIVE, ASSUME COST NECESSARY SERVICING, REPAIR CORRECTION.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"id_16-limitation-of-liability","dir":"","previous_headings":"TERMS AND CONDITIONS","what":"16. Limitation of Liability","title":"GNU General Public License","text":"EVENT UNLESS REQUIRED APPLICABLE LAW AGREED WRITING COPYRIGHT HOLDER, PARTY MODIFIES /CONVEYS PROGRAM PERMITTED , LIABLE DAMAGES, INCLUDING GENERAL, SPECIAL, INCIDENTAL CONSEQUENTIAL DAMAGES ARISING USE INABILITY USE PROGRAM (INCLUDING LIMITED LOSS DATA DATA RENDERED INACCURATE LOSSES SUSTAINED THIRD PARTIES FAILURE PROGRAM OPERATE PROGRAMS), EVEN HOLDER PARTY ADVISED POSSIBILITY DAMAGES.","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"id_17-interpretation-of-sections-15-and-16","dir":"","previous_headings":"TERMS AND CONDITIONS","what":"17. Interpretation of Sections 15 and 16","title":"GNU General Public License","text":"disclaimer warranty limitation liability provided given local legal effect according terms, reviewing courts shall apply local law closely approximates absolute waiver civil liability connection Program, unless warranty assumption liability accompanies copy Program return fee. END TERMS CONDITIONS","code":""},{"path":"https://ethanbass.github.io/chromConverter/LICENSE.html","id":"how-to-apply-these-terms-to-your-new-programs","dir":"","previous_headings":"","what":"How to Apply These Terms to Your New Programs","title":"GNU General Public License","text":"develop new program, want greatest possible use public, best way achieve make free software everyone can redistribute change terms. , attach following notices program. safest attach start source file effectively state exclusion warranty; file least “copyright” line pointer full notice found. Also add information contact electronic paper mail. program terminal interaction, make output short notice like starts interactive mode: hypothetical commands show w show c show appropriate parts General Public License. course, program’s commands might different; GUI interface, use “box”. also get employer (work programmer) school, , sign “copyright disclaimer” program, necessary. information , apply follow GNU GPL, see . GNU General Public License permit incorporating program proprietary programs. program subroutine library, may consider useful permit linking proprietary applications library. want , use GNU Lesser General Public License instead License. first, please read .","code":" Copyright (C) This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program. If not, see . Copyright (C) This program comes with ABSOLUTELY NO WARRANTY; for details type 'show w'. This is free software, and you are welcome to redistribute it under certain conditions; type 'show c' for details."},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-use-base-r-syntax","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra use base R syntax","title":"Intro to plotting mass spectrometry data","text":"simple plot function use plot mass spectra base R: can extract mass spectra filtering time, e.g., get mass spectrum first scan, :","code":"x <- dat[[1]]$MS1 # derive TIC using aggregate tic <- aggregate(intensity ~ rt, data = x, FUN = sum) # plot TIC matplot(tic$rt, tic$intensity, type = 'l', ylab = \"Total intensity\", xlab = \"Time (min)\") plot_spec <- function(spec, lab_int=0.2, digits=1){ plot(spec, type = \"h\", xlab = \"m/z\", ylab = \"Intensity\") lab.idx <- which(spec$intensity > lab_int * max(spec$intensity)) text(spec$mz[lab.idx], spec$intensity[lab.idx], round(spec$mz[lab.idx], digits), offset = 0.25, pos = 3, cex = 0.5) } times <- unique(x$rt) spec <- x[x$rt == times[100], -1] plot_spec(spec)"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-using-dplyr-syntax","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra using dplyr syntax","title":"Intro to plotting mass spectrometry data","text":"Plot TIC dplyr: Plot spectrum dplyr:","code":"tic <- x |> dplyr::group_by(rt) |> dplyr::summarize_at(\"intensity\", sum) plot(intensity ~ rt, data=tic, type = 'l', ylab = \"Total intensity\", xlab = \"Time (min)\") dplyr::filter(x, rt == 7.26355) |> dplyr::select(mz, intensity) |> plot_spec()"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-using-data-table-syntax","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra using data.table syntax","title":"Intro to plotting mass spectrometry data","text":"Convert data.table: chromConverter can also return chromatograms data.table format directly: Extract total ion chromatogram: Extract base ion chromatogram: obtain mass spectrum just filter retention time :","code":"x <- data.table::as.data.table(x) dat <- read_chroms(path_sms, format_in = \"varian_sms\", format_out = \"data.table\") tic <- x[, .(intensity = sum(intensity)), by = rt] matplot(tic$rt, tic$intensity, type = 'l', ylab = \"Total intensity\", xlab = \"Time (min)\") bpc <- x[, .(intensity = max(intensity)), by = rt] matplot(bpc$rt, bpc$intensity, type = 'l', ylab = \"Base ion chromatogram\", xlab = \"Time (min)\") plot_spec(x[rt == 7.26355, c('mz','intensity')])"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"plot-tic-and-mass-spectra-using-ggplot","dir":"Articles","previous_headings":"","what":"Plot TIC and mass spectra using ggplot","title":"Intro to plotting mass spectrometry data","text":"Plot mass spectrum ggplot:","code":"library(ggplot2) ggplot(data = tic, aes(x=rt, y=intensity)) + geom_line() + xlab(\"Retention time (min)\") + ylab(\"Intensity\") lab_int <- 0.2 digits <- 1 dplyr::filter(x, rt == 7.26355) |> dplyr::select(mz, intensity) |> ggplot(aes(x = mz, y = intensity)) + geom_segment(aes(xend = mz, yend = 0), linewidth = 0.5) + geom_text(data = subset(spec, intensity > lab_int * max(intensity)), aes(label = round(mz, digits)), vjust = -0.5, size = 2) + labs(x = \"m/z\", y = \"Intensity\") + theme_minimal()"},{"path":"https://ethanbass.github.io/chromConverter/articles/plot_ms.html","id":"session-information","dir":"Articles","previous_headings":"","what":"Session Information","title":"Intro to plotting mass spectrometry data","text":"","code":"sessionInfo() #> R version 4.4.2 (2024-10-31) #> Platform: x86_64-pc-linux-gnu #> Running under: Ubuntu 22.04.5 LTS #> #> Matrix products: default #> BLAS: /usr/lib/x86_64-linux-gnu/openblas-pthread/libblas.so.3 #> LAPACK: /usr/lib/x86_64-linux-gnu/openblas-pthread/libopenblasp-r0.3.20.so; LAPACK version 3.10.0 #> #> locale: #> [1] LC_CTYPE=C.UTF-8 LC_NUMERIC=C LC_TIME=C.UTF-8 #> [4] LC_COLLATE=C.UTF-8 LC_MONETARY=C.UTF-8 LC_MESSAGES=C.UTF-8 #> [7] LC_PAPER=C.UTF-8 LC_NAME=C LC_ADDRESS=C #> [10] LC_TELEPHONE=C LC_MEASUREMENT=C.UTF-8 LC_IDENTIFICATION=C #> #> time zone: UTC #> tzcode source: system (glibc) #> #> attached base packages: #> [1] stats graphics grDevices utils datasets methods base #> #> other attached packages: #> [1] data.table_1.16.2 ggplot2_3.5.1 chromConverter_0.7.1 #> #> loaded via a namespace (and not attached): #> [1] rappdirs_0.3.3 generics_0.1.3 sass_0.4.9 utf8_1.2.4 #> [5] bitops_1.0-9 xml2_1.3.6 stringi_1.8.4 lattice_0.22-6 #> [9] digest_0.6.37 magrittr_2.0.3 evaluate_1.0.1 grid_4.4.2 #> [13] fastmap_1.2.0 rprojroot_2.0.4 cellranger_1.1.0 jsonlite_1.8.9 #> [17] Matrix_1.7-1 purrr_1.0.2 fansi_1.0.6 scales_1.3.0 #> [21] RaMS_1.4.3 pbapply_1.7-2 textshaping_0.4.0 jquerylib_0.1.4 #> [25] cli_3.6.3 rlang_1.1.4 bit64_4.5.2 munsell_0.5.1 #> [29] withr_3.0.2 base64enc_0.1-3 cachem_1.1.0 yaml_2.3.10 #> [33] parallel_4.4.2 tools_4.4.2 dplyr_1.1.4 colorspace_2.1-1 #> [37] here_1.0.1 reticulate_1.40.0 vctrs_0.6.5 R6_2.5.1 #> [41] png_0.1-8 lifecycle_1.0.4 stringr_1.5.1 fs_1.6.5 #> [45] bit_4.5.0 ragg_1.3.3 pkgconfig_2.0.3 desc_1.4.3 #> [49] pkgdown_2.1.1 bslib_0.8.0 pillar_1.9.0 gtable_0.3.6 #> [53] glue_1.8.0 Rcpp_1.0.13-1 systemfonts_1.1.0 tidyselect_1.2.1 #> [57] xfun_0.49 tibble_3.2.1 knitr_1.49 farver_2.1.2 #> [61] htmltools_0.5.8.1 labeling_0.4.3 rmarkdown_2.29 compiler_4.4.2 #> [65] entab_0.3.1 readxl_1.4.3"},{"path":"https://ethanbass.github.io/chromConverter/authors.html","id":null,"dir":"","previous_headings":"","what":"Authors","title":"Authors and Citation","text":"Ethan Bass. Author, maintainer. James Dillon. Contributor, copyright holder. Author copyright holder source code adapted 'Chromatography Toolbox' parsing 'Agilent' FID files. Evan Shi. Contributor, copyright holder. Author copyright holder source code adapted 'rainbow' parsing 'Agilent' UV files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/authors.html","id":"citation","dir":"","previous_headings":"","what":"Citation","title":"Authors and Citation","text":"Bass, E. (2024). chromConverter: Chromatographic File Converter. http://doi.org/10.5281/zenodo.6792521.","code":"@Manual{, title = {chromConverter: Chromatographic File Converter}, author = {Ethan Bass}, year = {2024}, version = {version 0.7.1}, doi = {10.5281/zenodo.6792521}, url = {https://ethanbass.github.io/chromConverter/}, }"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"chromconverter-","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Table contents: Overview - Installation - File formats - Usage - Contributing - Citation","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"overview","dir":"","previous_headings":"","what":"Overview","title":"Chromatographic File Converter","text":"chromConverter aims facilitate conversion chromatography data various proprietary formats can easily read R analysis. includes number parsers written directly R well bindings various external libraries including Aston, Entab, rainbow, ThermoRawFileParser, OpenChrom RaMS.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"chromconverter","dir":"","previous_headings":"Formats","what":"ChromConverter","title":"Chromatographic File Converter","text":"‘Agilent ChemStation’ & ‘OpenLab’ .uv files (versions 131, 31) ‘Agilent ChemStation’ & ‘OpenLab’ .ch files (versions 30, 130, 8, 81, 179, 181) Allotrope® Simple Model (ASM) 2D chromatograms (.asm) ÅNDI (Analytical Data Interchange) Chromatography & MS formats (.cdf) ‘Allotrope Simple Model’ (ASM) 2D chromatograms. mzML (.mzml) & mzXML (.mzxml) (via RaMS). ‘Shimadzu LabSolutions’ ascii (.txt) ‘Shimadzu GCsolution’ data files (.gcd) ‘Shimadzu GCMSsolution’ data files (.qgd) ‘Shimadzu LabSolutions’.lcd (provisional support PDA chromatogram streams) ‘Thermo Scientific Chromeleon’ ascii (.txt) ‘Varian Workstation’ (.SMS) ‘Waters Empower’ ascii (.arw)","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"astonentab-entab-requires-separate-installation-see-instructions-below","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Agilent ChemStation (.ch, .fid, .ms, .mwd, & .uv) Agilent MassHunter DAD (.sp)","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"thermorawfileparser-requires-separate-installation-see-instructions-below","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Thermo RAW (.raw)","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"rainbow","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Agilent (.ch, .fid, .ms, .MSProfile.bin, & .uv) Waters (.raw [UV, MS, CAD, ELSD])","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"openchrom-requires-separate-installation-see-instructions-below","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Shimadzu FID (.gcd, .C0#) PerkinElmer FID (.raw) Varian FID (.run) DataApex FID (.PRM) MassFinder FID/MSD (*.mfg) ABSciex DAD (.wiff) many (see full list ).","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"installation","dir":"","previous_headings":"","what":"Installation","title":"Chromatographic File Converter","text":"chromConverter can now installed directly CRAN: However, ’s recommended install development version chromConverter GitHub follows: R Universe: Note: changes recent versions RStudio messed accessibility python bindings reticulate. wish access python-based parsers (e.g. aston rainbow) recent version RStudio, suggested first change default settings RStudio. , open Tools:Global Options...:Python uncheck box says Automatically activate project-local Python environments. restart RStudio. Alternatively, issue can resolved selecting desired python interpreter Python settings pane. recommended use local installation miniconda, can installed running reticulate::install_miniconda().","code":"install.packages(\"chromConverter\") install.packages(\"remotes\") remotes::install_github(\"https://github.com/ethanbass/chromConverter/\") install.packages(\"chromConverter\", repos=\"https://ethanbass.r-universe.dev/\", type=\"source\")"},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"importing-chromatograms","dir":"","previous_headings":"Usage","what":"Importing chromatograms","title":"Chromatographic File Converter","text":"workhorse chromConverter read_chroms function, functions wrapper around supported parsers. convert files, call read_chroms, specifying paths vector directories files appropriate file format (format_in). Supported formats include chemstation_uv, chemstation_csv, masshunter_dad, shimadzu_fid, shimadzu_dad, chromeleon_uv, thermoraw, mzml, waters_arw, msd, csd, wsd. read_chroms function attempt determine appropriate parser use whether ’ve provided vector directories files. However, ’d like explicit, can provide arguments parsers find_files arguments. Setting find_files = FALSE instruct function providing vector files, find_files = TRUE implies providing vector directories.","code":"library(chromConverter) dat <- read_chroms(path, format_in = \"chemstation_uv\")"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"exporting-files","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"’d like automatically export files, include desired file format (export_format) path ’d like export files (path_out). parsers (e.g. OpenChrom ThermoRawFileParser) need export files basic operations. Thus, parsers selected, need specify argument path_out.","code":"library(chromConverter) dat <- read_chroms(path, find_files = FALSE, path_out=\"temp\", export=TRUE)"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"choosing-between-multiple-parsers","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"formats multiple parsers available, can choose using parser argument. example, ‘Agilent’ files can now read using parsers number external libraries, including Aston, Entab, OpenChrom, rainbow. parsers must installed manually described installation instructions page. recommended use newer Entab rainbow parsers, since Aston longer actively supported.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"openchrom-parsers","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"Parsers OpenChrom organized detector-type. Thus, format_in argument, user must specify whether files come mass selective detector (msd), current-selective detector like flame-ionization detector (csd), wavelength-selective detector (wsd), rather providing specific file format. addition, user specify format ’d like export (export_format). Current options include csv, cdf, mzml, animl (analytical information markup language). files converted calling OpenChrom command-line interface. files exported csv mzml format, chromatograms automatically read R. Otherwise, files exported specified folder read R workspace.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"extracting-metadata","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"chromConverter includes options extract metadata provided files. read_metadata = TRUE, metadata extracted stored attributes associated object. metadata can accessed using attributes attr functions individual chromatograms, extracted data.frame tibble list chromatograms using extract_metadata function.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"importing-peak-lists","dir":"","previous_headings":"Usage","what":"Importing peak lists","title":"Chromatographic File Converter","text":"read_peaklist function can used import peak lists ‘Agilent ChemStation’ REPORT files ‘Shimadzu’ ascii files. syntax similar read_chroms. simplest case, can just provide paths files directory want read along format (format_in), e.g.","code":"pks <- read_peaklist(, format_in = \"chemstation\")"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"optional-additional-dependencies","dir":"","previous_headings":"Usage","what":"Optional additional dependencies","title":"Chromatographic File Converter","text":"parsers rely external software libraries must manually installed.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"aston","dir":"","previous_headings":"Usage > Optional additional dependencies","what":"Aston","title":"Chromatographic File Converter","text":"install Aston, call configure_aston() function install miniconda along necessary python dependencies. Running read_chroms Aston parser selected also trigger prompt install Aston. ’re running Windows, may need install latest version ‘Microsoft Visual C++’ don’t already .","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"entab","dir":"","previous_headings":"Usage > Optional additional dependencies","what":"Entab","title":"Chromatographic File Converter","text":"Entab Rust-based parsing framework converting variety scientific file formats tabular data. use parsers Entab, must first install Rust Entab-R. following instructions install Rust, can install Entab GitHub follows:","code":"remotes::install_github(\"https://github.com/bovee/entab/\", subdir = \"entab-r\")"},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"thermorawfileparser","dir":"","previous_headings":"Usage > Optional additional dependencies","what":"ThermoRawFileParser","title":"Chromatographic File Converter","text":"Thermo RAW files can converted calling ThermoRawFileParser command-line. install ThermoRawFileParser, follow instructions . running Linux Mac OS X, also need install mono, following instructions provided link. addition, use chromConverter convert Thermo RAW files first time asked enter path program.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"note-support-for-the-commmand-line-interface-has-been-removed-from-openchrom-as-of-version-150-older-versions-eg-14x-should-still-work-for-now-unfortunately-openchrom-14-has-been-scrubbed-from-the-internet-but-openchrom-13-is-still-available-from-sourceforge","dir":"","previous_headings":"","what":"Chromatographic File Converter","title":"Chromatographic File Converter","text":"OpenChrom open source chromatography software, containing large number file parsers, can now conveniently accessed directly R. Strangely, configuring OpenChrom use command-line deactivates graphical user interface (GUI). Thus, recommended make separate copy OpenChrom ’d still like access GUI. use OpenChrom parsers, follow steps detailed : Download OpenChrom (version ≤ 1.4) place directory choice. intend use GUI future, recommended make separate copy OpenChrom command-line use. Call read_chroms parser = \"openchrom\". first time call parser, may asked provide path local installation OpenChrom. path saved future use. command-line interface disabled, given option automatically activate command-line. Alternatively, command-line option can activated R calling configure_openchrom(cli = \"true\") following instructions manually activate CLI. process can reversed using function: e.g. configure_openchrom(cli = \"false\"). specify OpenChrom executable non-standard location, callconfigure_openchromwith thepathargument, e.g.configure_openchrom(cli = “true”, path = “path_to_openchrom_executable”).","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"further-analysis","dir":"","previous_headings":"","what":"Further analysis","title":"Chromatographic File Converter","text":"downstream analyses chromatographic data, can also check package chromatographR. interactive visualization chromatograms, can check new package ShinyChromViewer (alpha release). also vignette providing introduction basic syntax plotting mass spectrometry data returned chromConverter various R dialects.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"contributing","dir":"","previous_headings":"","what":"Contributing","title":"Chromatographic File Converter","text":"Contributions source code, ideas, documentation always welcome. Please get touch (preferable opening GitHub issue) discuss suggestions file bug report. good reasons file issue: ’ve found actual bug. ’re getting cryptic error message don’t understand. file format ’d like read isn’t currently supported chromConverter. (Please make sure attach example files link files.) ’s another new feature ’d like see implemented. Note: filing bug report, please make sure install latest development version chromConverter GitHub, case bug already patched. installing latest version, may also need refresh R session remove older version cache.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"other-related-packages","dir":"","previous_headings":"","what":"Other related packages","title":"Chromatographic File Converter","text":"tidy extraction mzML data, see RaMS.","code":""},{"path":"https://ethanbass.github.io/chromConverter/index.html","id":"citation","dir":"","previous_headings":"","what":"Citation","title":"Chromatographic File Converter","text":"can cite chromConverter follows: Bass, E. (2024). chromConverter: Chromatographic File Converter. http://doi.org/10.5281/zenodo.6792521. use external libraries convert files, suggested also cite libraries published work.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":null,"dir":"Reference","previous_headings":"","what":"Call Entab Converts files using Entab parsers — call_entab","title":"Call Entab Converts files using Entab parsers — call_entab","text":"Call Entab Converts files using Entab parsers","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Call Entab Converts files using Entab parsers — call_entab","text":"","code":"call_entab( path, data_format = c(\"wide\", \"long\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), format_in = \"\", read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Call Entab Converts files using Entab parsers — call_entab","text":"path Path file data_format Whether return data wide long format. format_out Class output. Either matrix, data.frame, data.table. format_in Format input. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_entab.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Call Entab Converts files using Entab parsers — call_entab","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":null,"dir":"Reference","previous_headings":"","what":"Parse files with OpenChrom — call_openchrom","title":"Parse files with OpenChrom — call_openchrom","text":"Writes xml batch-files calls OpenChrom file parsers using system call command-line interface. use function OpenChrom (version 0.4.0) must manually installed. command line interface longer supported latest versions OpenChrom (starting version 0.5.0), function longer work newer versions. OpenChrom 1.4 scrubbed internet, OpenChrom 1.3 still available SourceForge.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Parse files with OpenChrom — call_openchrom","text":"","code":"call_openchrom( files, path_out = NULL, format_in, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), export_format = c(\"mzml\", \"csv\", \"cdf\", \"animl\"), return_paths = FALSE, verbose = getOption(\"verbose\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Parse files with OpenChrom — call_openchrom","text":"files files parse path_out directory export converted files. format_in Either msd mass spectrometry data, csd flame ionization data, wsd DAD/UV data. format_out R format. Either matrix, data.frame data.table. data_format Whether return data wide long format. export_format Either mzml, csv, cdf, animl. Defaults mzml. return_paths Logical. TRUE, function return character vector paths newly created files. verbose Logical. Whether print output OpenChrom console.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Parse files with OpenChrom — call_openchrom","text":"return_paths FALSE, function return list chromatograms (appropriate parser available import files R). chromatograms returned matrix data.frame format according value format_out. return_paths TRUE, function return character vector paths newly created files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Parse files with OpenChrom — call_openchrom","text":"call_openchrom works creating xml batchfile feeding OpenChrom command-line interface. OpenChrom batchfiles consist InputEntries (files want convert) ProcessEntries (want files). parsers organized broad categories detector-type output format. detector-types msd (mass selective detectors), csd (current selective detectors, e.g. FID, ECD, NPD), wsd (wavelength selective detectors, e.g. DAD, UV/VIS). Thus, calling OpenChrom parsers, must select one three options input format (format_in).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Parse files with OpenChrom — call_openchrom","text":"Activating OpenChrom command-line deactivate graphical user interface (GUI). Thus, wish continue using OpenChrom GUI, recommended create separate command-line version OpenChrom call R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Parse files with OpenChrom — call_openchrom","text":"Chromatograms exported format specified export_format folder specified path_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"references","dir":"Reference","previous_headings":"","what":"References","title":"Parse files with OpenChrom — call_openchrom","text":"Wenig, Philip Odermatt, Juergen. OpenChrom: Cross-Platform Open Source Software Mass Spectrometric Analysis Chromatographic Data. BMC Bioinformatics 11, . 1 (July 30, 2010): 405. doi:10.1186/1471-2105-11-405 .","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_openchrom.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Parse files with OpenChrom — call_openchrom","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":null,"dir":"Reference","previous_headings":"","what":"Parse Agilent or Waters files with rainbow parser — call_rainbow","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"Uses rainbow parsers read Agilent (.D) Waters (.raw) files. format_in agilent_d waters_raw, directory appropriate format (.d .raw) provided file. format_in chemstation_uv .uv file provided. Data can filtered detector type using argument.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"","code":"call_rainbow( path, format_in = c(\"agilent_d\", \"waters_raw\", \"masshunter\", \"chemstation\", \"chemstation_uv\", \"chemstation_fid\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), by = c(\"detector\", \"name\"), what = NULL, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE, precision = 1 )"},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"path Path file format_in Format supplied files. Either agilent_d, waters_raw, chemstation. format_out R format. Either matrix, data.frame, data.table. data_format Whether return data wide long format. order list returned. Either detector (default) name. types data return (e.g. MS, UV, CAD, ELSD). argument applies == \"detector\". read_metadata Logical. Whether attach metadata. Defaults TRUE. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. precision Number decimals round mz values. Defaults 1.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"Returns (nested) list matrices data.frames according value format_out. Data ordered according value .","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/call_rainbow.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Parse Agilent or Waters files with rainbow parser — call_rainbow","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":null,"dir":"Reference","previous_headings":"","what":"Configure OpenChrom parser — configure_openchrom","title":"Configure OpenChrom parser — configure_openchrom","text":"Configure OpenChrom parser","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Configure OpenChrom parser — configure_openchrom","text":"","code":"configure_openchrom(cli = c(\"null\", \"true\", \"false\", \"status\"), path = NULL)"},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Configure OpenChrom parser — configure_openchrom","text":"cli Defaults NULL. \"true\", R rewrite openchrom ini file enable CLI. \"false\", R disable CLI. NULL, R modify ini file. path Path 'OpenChrom' executable (Optional). supplied path overwrite current path.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Configure OpenChrom parser — configure_openchrom","text":"cli set \"status\", returns Boolean value indicating whether 'OpenChrom' configured correctly. Otherwise, returns path OpenChrom command-line application.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_openchrom.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Configure OpenChrom parser — configure_openchrom","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":null,"dir":"Reference","previous_headings":"","what":"Configure python environment — configure_python_environment","title":"Configure python environment — configure_python_environment","text":"Configures reticulate environment parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Configure python environment — configure_python_environment","text":"","code":"configure_python_environment(parser = \"all\", return_boolean = FALSE)"},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Configure python environment — configure_python_environment","text":"parser Either aston, rainbow, olefile (read_shimadzu_lcd). return_boolean Logical. Whether return Boolean value indicating chromConverter environment correctly configured.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Configure python environment — configure_python_environment","text":"return_boolean TRUE, returns Boolean value indicating whether chromConverter environment configured correctly. Otherwise, return value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/configure_python_environment.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Configure python environment — configure_python_environment","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":null,"dir":"Reference","previous_headings":"","what":"Extract metadata — extract_metadata","title":"Extract metadata — extract_metadata","text":"Extract metadata data.frame list chromatograms.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Extract metadata — extract_metadata","text":"","code":"extract_metadata( chrom_list, what = c(\"instrument\", \"detector\", \"detector_id\", \"software\", \"method\", \"batch\", \"operator\", \"run_datetime\", \"sample_name\", \"sample_id\", \"injection_volume\", \"time_range\", \"time_interval\", \"time_unit\", \"detector_range\", \"detector_y_unit\", \"detector_x_unit\", \"intensity_multiplier\", \"scaled\", \"source_file\", \"source_file_format\", \"source_sha1\", \"data_format\", \"parser\", \"format_out\"), format_out = c(\"data.frame\", \"tibble\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Extract metadata — extract_metadata","text":"chrom_list list chromatograms attached metadata (returned read_chroms read_metadata = TRUE). character vector specifying metadata elements extract. format_out Format object. Either data.frame tibble.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/extract_metadata.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Extract metadata — extract_metadata","text":"data.frame tibble (according value format_out), samples rows specified metadata elements columns.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":null,"dir":"Reference","previous_headings":"","what":"Read files from 'ChemStation' .D directories — read_agilent_d","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"Agilent .ch files come several different varieties. parser can automatically detect read several versions files 'Agilent ChemStation' 'Agilent OpenLab', including versions 30 130, generally produced ultraviolet detectors, well 81, 179, 181 generally produced flame ionization (FID) detectors.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"","code":"read_agilent_d( path, what = c(\"chroms\", \"dad\", \"peak_table\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"path Path .ch file Whether extract chromatograms (chroms), DAD data (dad) /peak tables peak_table. Accepts multiple arguments. ms_spectra. Accepts multiple arguments. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"list chromatograms format specified data_format #' format_out. data_format wide, chromatograms returned retention times rows columns containing signal intensity signal. long format requested, retention times first column. format_out argument determines whether chromatogram returned matrix, data.frame data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_d.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read files from 'ChemStation' .D directories — read_agilent_d","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":null,"dir":"Reference","previous_headings":"","what":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"Parser reading Agilent ('.dx') files R","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"","code":"read_agilent_dx( path, path_out = NULL, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"path Path .dx file. path_out Path directory export unzipped files. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_agilent_dx.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Parser for reading Agilent ('.dx') files into R — read_agilent_dx","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":null,"dir":"Reference","previous_headings":"","what":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"parser reading 'Allotrope Simple Model' files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"","code":"read_asm( path, data_format = c(\"wide\", \"long\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"path Path ASM .json file. data_format Whether return data wide long format. format_out Matrix data.frame. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"2D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatogram returned matrix data.frame. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_asm.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read Allotrope Simple Model (ASM) 2D chromatograms — read_asm","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":null,"dir":"Reference","previous_headings":"","what":"Read CDF file — read_cdf","title":"Read CDF file — read_cdf","text":"Parser Analytical Data Interchange (ANDI) netCDF files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read CDF file — read_cdf","text":"","code":"read_cdf( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), what = NULL, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE, ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read CDF file — read_cdf","text":"path Path ANDI netCDF file. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. 2D files, \"long\" format returns retention time first column data.frame matrix \"wide\" format returns retention time rownames object. ANDI chrom files, whether extract chroms /peak_table. ANDI ms files, whether extract MS1 scans (MS1) total ion chromatogram (TIC). read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. ... Additional arguments parser. ms_format argument can used specify whether return mass spectra list format data.frame.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read CDF file — read_cdf","text":"chromatogram format specified format_out data_format arguments.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_cdf.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read CDF file — read_cdf","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'ChemStation' CH files — read_chemstation_ch","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"Agilent .ch files come several different varieties. parser can automatically detect read several versions files 'Agilent ChemStation' 'Agilent OpenLab', including versions 30 130, generally produced ultraviolet detectors, well 81, 179, 181 generally produced flame ionization (FID) detectors.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"","code":"read_chemstation_ch( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"path Path .ch file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data scaling factor present file. Defaults TRUE. 'MassHunter' seems ignore scaling factor least types 'ChemStation' files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"2D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatogram returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"function adapted Chromatography Toolbox (© James Dillon 2014).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ch.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'ChemStation' CH files — read_chemstation_ch","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":null,"dir":"Reference","previous_headings":"","what":"Read Chemstation CSV — read_chemstation_csv","title":"Read Chemstation CSV — read_chemstation_csv","text":"Reads 'Agilent Chemstation' CSV files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read Chemstation CSV — read_chemstation_csv","text":"","code":"read_chemstation_csv( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read Chemstation CSV — read_chemstation_csv","text":"path Path file format_out Class output. Either matrix, data.frame, data.table.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read Chemstation CSV — read_chemstation_csv","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read Chemstation CSV — read_chemstation_csv","text":"'Agilent Chemstation' CSV files encoded UTF-16.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_csv.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read Chemstation CSV — read_chemstation_csv","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"Parser read Agilent Chemstation 'MSD Spectral Files' beginning x01/x32/x00/x00.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"","code":"read_chemstation_ms( path, what = c(\"MS1\", \"BPC\", \"TIC\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"path Path .ms file stream get: current options MS1, BPC /TIC. stream specified, function return streams. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"2D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatogram returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"Many thanks Evan Shi Eugene Kwan providing helpful information structure files rainbow documentation.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_ms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Agilent ChemStation' MS file. — read_chemstation_ms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"Read 'Agilent ChemStation' Reports","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"","code":"read_chemstation_reports( paths, data_format = c(\"chromatographr\", \"original\"), metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"paths Paths 'ChemStation' report files. data_format Format output data. Either chromatographr chemstation. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"data.frame containing information specified 'ChemStation' report.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_reports.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Agilent ChemStation' Reports — read_chemstation_reports","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'ChemStation' DAD files — read_chemstation_uv","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"Agilent .uv files come several different varieties. parser can automatically detect read several versions files 'Agilent ChemStation' 'Agilent OpenLab', including versions 31 131.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"","code":"read_chemstation_uv( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"path Path .uv file. format_out Class output. Either matrix, data.frame, data.table. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data scaling factor present file. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"3D chromatogram format specified data_format format_out. data_format wide, chromatogram returned retention times rows wavelengths columns. long format requested, three columns returned: one retention time, one wavelength one intensity. format_out argument determines whether chromatogram returned matrix data.frame. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"function adapted parser rainbow project licensed GPL 3 Evan Shi https://rainbow-api.readthedocs.io/en/latest/agilent/uv.html.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chemstation_uv.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'ChemStation' DAD files — read_chemstation_uv","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":null,"dir":"Reference","previous_headings":"","what":"Chromeleon ASCII reader — read_chromeleon","title":"Chromeleon ASCII reader — read_chromeleon","text":"Reads 'Thermo Fisher Chromeleon™ CDS' files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Chromeleon ASCII reader — read_chromeleon","text":"","code":"read_chromeleon( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Chromeleon ASCII reader — read_chromeleon","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Chromeleon ASCII reader — read_chromeleon","text":"chromatogram format specified format_out. (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chromeleon.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Chromeleon ASCII reader — read_chromeleon","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":null,"dir":"Reference","previous_headings":"","what":"Read Chromatograms — read_chroms","title":"Read Chromatograms — read_chroms","text":"Reads chromatograms specified folders vector paths using either internal parser bindings external library, Aston, Entab, ThermoRawFileParser, OpenChrom, rainbow.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read Chromatograms — read_chroms","text":"","code":"read_chroms( paths, format_in = c(\"agilent_d\", \"agilent_dx\", \"asm\", \"chemstation\", \"chemstation_fid\", \"chemstation_ch\", \"chemstation_csv\", \"chemstation_ms\", \"chemstation_uv\", \"masshunter_dad\", \"chromeleon_uv\", \"mzml\", \"mzxml\", \"mdf\", \"shimadzu_ascii\", \"shimadzu_dad\", \"shimadzu_fid\", \"shimadzu_gcd\", \"shimadzu_qgd\", \"shimadzu_lcd\", \"thermoraw\", \"varian_sms\", \"waters_arw\", \"waters_raw\", \"msd\", \"csd\", \"wsd\", \"other\"), find_files, pattern = NULL, parser = c(\"\", \"chromconverter\", \"aston\", \"entab\", \"thermoraw\", \"openchrom\", \"rainbow\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), path_out = NULL, export_format = c(\"\", \"csv\", \"chemstation_csv\", \"cdf\", \"mzml\", \"animl\"), force = FALSE, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), progress_bar, cl = 1, verbose = getOption(\"verbose\"), sample_names = NULL, dat = NULL, ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read Chromatograms — read_chroms","text":"paths Paths data files directories containing files. format_in Format files imported/converted. Current options include: agilent_d, agilent_dx, chemstation, chemstation_uv, chemstation_ch, chemstation_csv, chemstation_ms, masshunter, masshunter_dad, chromeleon_uv, shimadzu_ascii, shimadzu_fid, shimadzu_dad, thermoraw, waters_arw, waters_raw, mzml, mzxml, cdf, mdf, msd, csd, wsd, . find_files Logical. Set TRUE (default) providing function folder vector folders containing files. Otherwise, set toFALSE. pattern pattern (e.g. file extension). Defaults NULL, case file extension deduced format_in. parser parser use (optional). Current option chromconverter, aston, entab, thermoraw, openchrom, rainbow. format_out Class output. Either matrix, data.frame, data.table. data_format Whether output data wide long format. Either wide long. path_out Path exporting files. path specified, files export current working directory. export_format Export format. Currently options include .csv, chemstation_csv (utf-16 encoding), cdf, unless using OpenChrom parsers, two additional options: mzml, animl. force Logical. Whether overwrite files exporting. Defaults FALSE. read_metadata Logical, whether attach metadata (available). Defaults TRUE. metadata_format Format output metadata. Either chromconverter raw. progress_bar Logical. Whether show progress bar. Defaults TRUE pbapply installed. cl Argument pbapply specifying number clusters use cluster object created makeCluster. Defaults 1. verbose Logical. Whether print output external parsers R console. sample_names optional character vector sample names. Otherwise sample names default basename specified files. dat Existing list chromatograms append results. (Defaults NULL). ... Additional arguments parser.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read Chromatograms — read_chroms","text":"list chromatograms matrix, data.frame, data.table format, according value format_out. Chromatograms may returned either wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read Chromatograms — read_chroms","text":"Provides unified interface chromConverter parsers. Currently recognizes 'Agilent ChemStation' (.uv, .ch, .dx), 'Agilent MassHunter' (.dad), 'Thermo RAW' (.raw), 'Waters ARW' (.arw), 'Waters RAW' (.raw), 'Chromeleon ASCII' (.txt), 'Shimadzu ASCII' (.txt), 'Shimadzu GCD', 'Shimadzu LCD' (DAD chromatogram streams) 'Shimadzu QGD' files. Also, wraps 'OpenChrom' parsers, include many additional formats. use 'Entab', 'ThermoRawFileParser', 'OpenChrom' parsers, must manually installed. Please see instructions README details. paths individual files provided, read_chroms try infer file format select appropriate parser. However, providing paths directories, file format must specified using format_in argument.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Read Chromatograms — read_chroms","text":"export_format provided, chromatograms exported specified format specified folder specified path_out. Files can currently converted csv, mzml, cdf format. openchrom parser selected, ANIML available additional option.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read Chromatograms — read_chroms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_chroms.html","id":"ref-examples","dir":"Reference","previous_headings":"","what":"Examples","title":"Read Chromatograms — read_chroms","text":"","code":"if (FALSE) { # interactive() path <- \"tests/testthat/testdata/dad1.uv\" chr <- read_chroms(path, find_files = FALSE, format_in = \"chemstation_uv\") }"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Lumex' MDF files into R — read_mdf","title":"Read 'Lumex' MDF files into R — read_mdf","text":"Read 'Lumex' MDF files R","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Lumex' MDF files into R — read_mdf","text":"","code":"read_mdf( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Lumex' MDF files into R — read_mdf","text":"path path 'Lumex' .mdf file. format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Whether read metadata file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Lumex' MDF files into R — read_mdf","text":"chromatogram format specified format_out data_format arguments (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mdf.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Lumex' MDF files into R — read_mdf","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":null,"dir":"Reference","previous_headings":"","what":"Extract data from mzML files — read_mzml","title":"Extract data from mzML files — read_mzml","text":"Extracts data mzML files using parsers either RaMS mzR. RaMS parser (default) return data tidy (long) format. mzR parser return data wide format. Currently mzR-based parser configured return DAD data.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Extract data from mzML files — read_mzml","text":"","code":"read_mzml( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"long\", \"wide\"), parser = c(\"RaMS\", \"mzR\"), what = c(\"MS1\", \"MS2\", \"BPC\", \"TIC\", \"DAD\", \"chroms\", \"metadata\", \"everything\"), verbose = FALSE, ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Extract data from mzML files — read_mzml","text":"path path file format_out Class output. applies mzR selected. Either matrix, data.frame, data.table. RaMS return list data.tables regardless selected . data_format Whether return data wide long format. parser parser use. Either RaMS mzR. types data return (argument grabMSdata. Options include MS1, MS2, BPC, TIC, DAD, chroms, metadata, everything). verbose Argument grabMSdata controlling verbosity. ... Additional arguments grabMSdata.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Extract data from mzML files — read_mzml","text":"RaMS selected, function return list \"tidy\" data.table objects. mzR selected, function return chromatogram matrix data.frame format according value format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_mzml.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Extract data from mzML files — read_mzml","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":null,"dir":"Reference","previous_headings":"","what":"Read peak lists — read_peaklist","title":"Read peak lists — read_peaklist","text":"Reads peak lists specified folders vector paths.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read peak lists — read_peaklist","text":"","code":"read_peaklist( paths, find_files, format_in = c(\"chemstation\", \"shimadzu_fid\", \"shimadzu_dad\"), pattern = NULL, data_format = c(\"chromatographr\", \"original\"), metadata_format = c(\"chromconverter\", \"raw\"), read_metadata = TRUE, progress_bar, cl = 1 )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read peak lists — read_peaklist","text":"paths paths files folders containing files. find_files Logical. Set TRUE (default) providing function folder vector folders containing files. Otherwise, set toFALSE. format_in Format files imported/converted. Current options include: chemstation shimadzu. pattern pattern (e.g. file extension). Defaults NULL, case file extension deduced format_in. data_format Either chromatographr original. metadata_format Format output metadata. Either chromconverter raw. read_metadata Logical, whether attach metadata (available). Defaults TRUE. progress_bar Logical. Whether show progress bar. Defaults TRUE pbapply installed. cl Argument pbapply specifying number clusters use cluster object created makeCluster. Defaults 1.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read peak lists — read_peaklist","text":"list chromatograms matrix data.frame format, according value format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read peak lists — read_peaklist","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_peaklist.html","id":"ref-examples","dir":"Reference","previous_headings":"","what":"Examples","title":"Read peak lists — read_peaklist","text":"","code":"if (FALSE) { # interactive() path <- \"tests/testthat/testdata/dad1.uv\" chr <- read_chroms(path, find_files = FALSE, format_in = \"chemstation_uv\") }"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu ascii reader — read_shimadzu","title":"Shimadzu ascii reader — read_shimadzu","text":"Reads 'Shimadzu' ascii files R. files can exported 'Shimadzu LabSolutions' right clicking samples sample list selecting File Conversion:Convert ASCII.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu ascii reader — read_shimadzu","text":"","code":"read_shimadzu( path, what = \"chroms\", format_in = NULL, include = c(\"fid\", \"lc\", \"dad\", \"uv\", \"tic\"), format_out = c(\"matrix\", \"data.frame\"), data_format = c(\"wide\", \"long\"), peaktable_format = c(\"chromatographr\", \"original\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), ms_format = c(\"data.frame\", \"list\"), collapse = TRUE, scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu ascii reader — read_shimadzu","text":"path Path file. Whether extract chromatograms (chroms), peak_table, /ms_spectra. Accepts multiple arguments. format_in argument deprecated longer required. include chromatograms include. Options fid, dad, uv, tic, status. format_out R format. Either matrix data.frame. data_format Whether return data wide long format. peaktable_format Whether return peak tables chromatographr original format. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw. ms_format Whether return mass spectral data (long) data.frame list. collapse Logical. Whether collapse lists contain single element. scale Whether scale data scaling factor present file. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu ascii reader — read_shimadzu","text":"nested list elements specified file, top levels chromatograms, peak tables, /mass spectra according value . Chromatograms returned format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu ascii reader — read_shimadzu","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu GCD parser — read_shimadzu_gcd","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"Read chromatogram data streams 'Shimadzu' GCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"","code":"read_shimadzu_gcd( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"path Path GCD file. format_out Class output. Either matrix, data.frame, data.table. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"2D chromatogram chromatogram stream matrix data.frame format, according value format_out. chromatograms returned wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"parser read chromatogram data streams 'Shimadzu' .gcd files. GCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. PDA data encoded stream called PDA 3D Raw Data:3D Raw Data. GCD data stream contains segment retention time, beginning 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying sampling interval milliseconds. 4 bytes: Little-endian integer specifying number values file. 4 bytes: Little-endian integer specifying total number bytes file (However, seems bytes?). 8 bytes 00s header, data simply encoded 64-bit (little-endian) floating-point numbers. retention times can (approximately?) derived number values sampling interval encoded header.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"parser experimental may still need work. yet able interpret much metadata files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_gcd.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu GCD parser — read_shimadzu_gcd","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu LCD parser — read_shimadzu_lcd","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"Read 3D PDA 2D chromatogram streams 'Shimadzu' LCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"","code":"read_shimadzu_lcd( path, what, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), scale = TRUE, collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"path Path LCD file. stream get: current options pda, chromatograms chroms, tic. stream specified, function default pda PDA stream present. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data value factor. Defaults TRUE. collapse Logical. Whether collapse lists contain single element.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"chromatogram list chromatograms format specified data_format format_out. data_format wide, chromatogram(s) returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatograms returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"parser read data 'Shimadzu' .lcd files. LCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. PDA data encoded stream called PDA 3D Raw Data:3D Raw Data. PDA data stream contains segment retention time, beginning 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying sampling rate along time axis 2D streams along spectral axis (?) PDA streams. 4 bytes: Little-endian integer specifying number values file (2D data) number wavelength values segment (3D data). 4 bytes: Little-endian integer specifying total number bytes segment. 8 bytes 00. 3D data, time point divided two sub-segments, begin end integer specifying length sub-segment bytes. 2D data structured similarly segments. known values LCD data streams little-endian data delta-encoded. first hexadecimal digit value sign digit specifying number bytes delta whether value positive negative. sign digit represents number hexadecimal digits used encode value. Even numbered sign digits correspond positive deltas, whereas odd numbers indicate negative deltas. Positive values encoded little-endian integers, negative values encoded two's complements. value position derived subtracting delta position previous value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"parsing date-time format seems little , since acquisition times diverge slightly ASCII file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_lcd.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu LCD parser — read_shimadzu_lcd","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Shimadzu' QGD — read_shimadzu_qgd","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"Parser 'Shimadzu GCMSsolution' .qgd files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"","code":"read_shimadzu_qgd( path, what = c(\"MS1\", \"TIC\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"path Path 'Shimadzu' QGD file. stream get: current options MS1 /TIC. stream specified, function return streams. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. collapse Logical. Whether collapse lists contain single element. Defaults TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"2D chromatogram chromatogram stream matrix, data.frame, data.table format, according value format_out. chromatograms returned wide long format according value data_format. chromatogram list chromatograms format specified data_format format_out. data_format wide, chromatogram(s) returned retention times rows single column intensity. long format requested, two columns returned: one retention time one intensity. format_out argument determines whether chromatograms returned matrix, data.frame, data.table. Metadata can attached chromatogram attributes read_metadata TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"MS data stored \"GCMS Raw Data\" storage, contains MS Raw Data stream MS scans, TIC Data stream containing total ion chromatogram, Retention Time stream containing retention times. known values little-endian. retention time stream simple array 4-byte integers. TIC stream simple array 8-byte integers corresponding retention times stored retention time stream. MS Raw Data stream blocked retention time. block begins header consisting following elements: scan number (4-byte integer) retention time (4-byte integer) unknown (12-bytes) number bytes intensity values (2-byte integer) unknown (8-bytes) header, rest block consists array mz values intensities. mz values encoded 2-byte integers mz value scaled factor 20. Intensities encoded (unsigned) integers variable byte-length defined value header.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"parser experimental may still need work. yet able interpret much metadata files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_shimadzu_qgd.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Shimadzu' QGD — read_shimadzu_qgd","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu LCD 2D parser — read_sz_lcd_2d","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"Read 2D PDA data stream 'Shimadzu' LCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"","code":"read_sz_lcd_2d( path, format_out = \"data.frame\", data_format = \"wide\", read_metadata = TRUE, metadata_format = \"shimadzu_lcd\", scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"path Path LCD file. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data value factor.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"One 2D chromatograms chromatogram streams matrix data.frame format, according value format_out. multiple chromatograms found, returned list matrices data.frames. chromatograms returned wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"parser read chromatogram data streams 'Shimadzu' .lcd files. LCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. chromatogram data encoded streams titled LSS Raw Data:Chromatogram Ch<#>. chromatogram data streams begin 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying sampling rate (milliseconds). 4 bytes: Little-endian integer specifying number values file. 4 bytes: Little-endian integer specifying total number bytes file. 8 bytes 00s segment divided multiple sub-segments, begin end integer specifying length sub-segment bytes. known values data stream little-endian data delta-encoded. first hexadecimal digit value sign digit specifying number bytes delta whether value positive negative. sign digit represents number hexadecimal digits used encode value. Even numbered sign digits correspond positive deltas, whereas odd numbers indicate negative deltas. Positive values encoded little-endian integers, negative values encoded two's complements. value position derived subtracting delta position previous value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_2d.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu LCD 2D parser — read_sz_lcd_2d","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":null,"dir":"Reference","previous_headings":"","what":"Shimadzu LCD 3D parser — read_sz_lcd_3d","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"Read 3D PDA data stream 'Shimadzu' LCD files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"","code":"read_sz_lcd_3d( path, format_out = \"matrix\", data_format = \"wide\", read_metadata = TRUE, metadata_format = \"shimadzu_lcd\", scale = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"path Path LCD file. format_out Matrix data.frame. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw. scale Whether scale data value factor.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"3D chromatogram PDA stream matrix data.frame format, according value format_out. chromatograms returned wide long format according value data_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"parser read PDA data 'Shimadzu' .lcd files. LCD files encoded 'Microsoft' OLE documents. parser relies olefile package Python unpack files. PDA data encoded stream called PDA 3D Raw Data:3D Raw Data. PDA data stream contains segment retention time, beginning 24-byte header. 24 byte header consists following fields: 4 bytes: segment label (17234). 4 bytes: Little-endian integer specifying wavelength bandwidth (?). 4 bytes: Little-endian integer specifying number wavelength values segment. 4 bytes: Little-endian integer specifying total number bytes segment. 8 bytes 00s segment divided two sub-segments, begin end integer specifying length sub-segment bytes. known values data stream little-endian data delta-encoded. first hexadecimal digit value sign digit specifying number bytes delta whether value positive negative. sign digit represents number hexadecimal digits used encode value. Even numbered sign digits correspond positive deltas, whereas odd numbers indicate negative deltas. Positive values encoded little-endian integers, negative values encoded two's complements. value position derived subtracting delta position previous value.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_sz_lcd_3d.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Shimadzu LCD 3D parser — read_sz_lcd_3d","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":null,"dir":"Reference","previous_headings":"","what":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Converts ThermoRawFiles mzML calling ThermoRawFileParser command-line.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"","code":"read_thermoraw( path, path_out = NULL, format_out = c(\"matrix\", \"data.frame\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\"), verbose = getOption(\"verbose\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"path Path file. path_out Path directory export mzML files. path_out specified, temp directory used. format_out R format. Either matrix data.frame. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw. verbose Logical. Whether print output OpenChrom console.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"chromatogram format specified format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"use function, ThermoRawFileParser must manually installed.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Exports chromatograms mzML format folder specified path_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"references","dir":"Reference","previous_headings":"","what":"References","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Hulstaert Niels, Jim Shofstahl, Timo Sachsenberg, Mathias Walzer, Harald Barsnes, Lennart Martens, Yasset Perez-Riverol. ThermoRawFileParser: Modular, Scalable, Cross-Platform RAW File Conversion. Journal Proteome Research 19, . 1 (January 3, 2020): 537–42. doi:10.1021/acs.jproteome.9b00328 .","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_thermoraw.html","id":"ref-examples","dir":"Reference","previous_headings":"","what":"Examples","title":"Read ThermoRaw files into R using ThermoRawFileParser — read_thermoraw","text":"","code":"if (FALSE) { # \\dontrun{ read_thermoraw(path) } # }"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"Read 'Varian' peaklist. Read peak list(s) 'Varian MS Workstation'.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"","code":"read_varian_peaklist(path)"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"path Path Varian peak list file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"data.frame containing information specified report.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_peaklist.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Varian' peaklist. Read peak list(s) from 'Varian MS Workstation'. — read_varian_peaklist","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Varian' SMS — read_varian_sms","title":"Read 'Varian' SMS — read_varian_sms","text":"Parser reading 'Varian Workstation' SMS file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Varian' SMS — read_varian_sms","text":"","code":"read_varian_sms( path, what = c(\"MS1\", \"TIC\", \"BPC\"), format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, collapse = TRUE )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Varian' SMS — read_varian_sms","text":"path Path .SMS files. Whether extract chromatograms (chroms) /MS1 data. Accepts multiple arguments. format_out R format. Either matrix data.frame. data_format Whether return data wide long format. read_metadata Whether read metadata file. (just placeholder now yet support parsing metadata). collapse Logical. Whether collapse lists contain single element.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Varian' SMS — read_varian_sms","text":"chromatogram list chromatograms specified file, according value . Chromatograms returned format specified format_out.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Read 'Varian' SMS — read_varian_sms","text":"Varian SMS files begin \"DIRECTORY\" offsets section. first section (files able inspect) \"MSData\" generally beginning byte 3238. MSdata section turn divided two sections. first section (short header) contains chromatogram data. information found section includes scan numbers, retention times, (64-bit floats), total ion chromatogram (TIC), base peak chromatogram (BPC), ion time (µsec), well unidentified information. scan numbers intensities TIC BPC stored 4-byte little-endian integers. Following section, series null bytes, followed series segments containing mass spectra. encoding scheme mass spectra somewhat complicated. scan represented series values variable length separated next scan two null bytes. Within segments, values paired. first value pair represents delta-encoded mass--charge ratio, second value represents intensity signal. Values section variable-length, big-endian integers encoded using selective bit masking based leading digit (d) value. length integer seems determined 1 + (d %/% 4). Integers beginning digits 0-3 simple 2-byte integers. d >= 4, values determined masking preserve lowest n bits according following scheme: d = 4-5 -> preserve lowest 13 bits d = 6-7 -> preserve lowest 14 bits d = 8-9 -> preserve lowest 21 bits d = 10-11 (-B) -> preserve lowest 22 bits d = 12-13 (C-D) -> preserve lowest 27 bits d = 14-15 (E-F) -> preserve lowest 28 bits (?)","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Varian' SMS — read_varian_sms","text":"still limited support extraction metadata file format. Also, timestamp conversions quite right.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_varian_sms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Varian' SMS — read_varian_sms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":null,"dir":"Reference","previous_headings":"","what":"Waters ascii (.arw) reader — read_waters_arw","title":"Waters ascii (.arw) reader — read_waters_arw","text":"Reads 'Waters ARW' files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Waters ascii (.arw) reader — read_waters_arw","text":"","code":"read_waters_arw( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Waters ascii (.arw) reader — read_waters_arw","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Whether read metadata file. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Waters ascii (.arw) reader — read_waters_arw","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Waters ascii (.arw) reader — read_waters_arw","text":"help exporting files Empower, can consult official documentation: How_to_export_3D_raw_data_from_Empower.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_arw.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Waters ascii (.arw) reader — read_waters_arw","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":null,"dir":"Reference","previous_headings":"","what":"Read 'Waters' RAW — read_waters_raw","title":"Read 'Waters' RAW — read_waters_raw","text":"Parser reading 'Waters MassLynx (.raw) files R.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Read 'Waters' RAW — read_waters_raw","text":"","code":"read_waters_raw( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Read 'Waters' RAW — read_waters_raw","text":"path Path .raw file. format_out Class output. Either matrix, data.frame, data.table. data_format Either wide (default) long. read_metadata Logical. Whether attach metadata. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Read 'Waters' RAW — read_waters_raw","text":"chromatogram format specified format_out (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"note","dir":"Reference","previous_headings":"","what":"Note","title":"Read 'Waters' RAW — read_waters_raw","text":"now parser reads 1D chromatograms (mass spectra DAD data) support parsing metadata 'Waters' RAW files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/read_waters_raw.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Read 'Waters' RAW — read_waters_raw","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":null,"dir":"Reference","previous_headings":"","what":"Converter for 'Agilent MassHunter' UV files — sp_converter","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"Converts single chromatogram MassHunter .sp format R data.frame.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"","code":"sp_converter( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. read_metadata Logical. Whether read metadata attach chromatogram. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"chromatogram data.frame format (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/sp_converter.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Converter for 'Agilent MassHunter' UV files — sp_converter","text":"Uses Aston file parser.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":null,"dir":"Reference","previous_headings":"","what":"Converter for 'Agilent ChemStation' UV files — uv_converter","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"Converts single chromatogram ChemStation .uv format R data.frame.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"","code":"uv_converter( path, format_out = c(\"matrix\", \"data.frame\", \"data.table\"), data_format = c(\"wide\", \"long\"), correction = TRUE, read_metadata = TRUE, metadata_format = c(\"chromconverter\", \"raw\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"path Path file format_out Class output. Either matrix, data.frame, data.table. data_format Whether return data wide long format. correction Logical. Whether apply empirical correction. Defaults TRUE. read_metadata Logical. Whether read metadata attach chromatogram. metadata_format Format output metadata. Either chromconverter raw.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"chromatogram data.frame format (retention time x wavelength).","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/uv_converter.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Converter for 'Agilent ChemStation' UV files — uv_converter","text":"Uses Aston file parser.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":null,"dir":"Reference","previous_headings":"","what":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"Exports chromatogram ANDI (Analytical Data Interchange) chromatography format (ASTM E1947-98). format can accommodate unidimensional data. two-dimensional chromatograms, column export can specified using lambda argument. Otherwise, warning generated first column chromatogram exported.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"","code":"write_andi_chrom(x, path_out, sample_name = NULL, lambda = NULL, force = FALSE)"},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"x chromatogram (wide) format. path_out path write file. sample_name name file. name provided, name derived sample_name attribute. lambda wavelength export (2-dimensional chromatograms). Must string matching one columns x index column export. force Whether overwrite existing files specified path. Defaults FALSE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"return value. function called side effects.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"side-effects","dir":"Reference","previous_headings":"","what":"Side effects","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"Exports chromatogram ANDI chromatography format (netCDF) directory specified path_out. file named according value sample_name. sample_name provided, sample_name attribute used exists.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_andi_chrom.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Write ANDI chrom CDF file from chromatogram — write_andi_chrom","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":null,"dir":"Reference","previous_headings":"","what":"Export chromatograms — write_chroms","title":"Export chromatograms — write_chroms","text":"Export chromatograms","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Export chromatograms — write_chroms","text":"","code":"write_chroms( chrom_list, path_out, export_format = c(\"mzml\", \"cdf\", \"csv\"), what = \"\", force = FALSE, show_progress = TRUE, verbose = getOption(\"verbose\"), ... )"},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Export chromatograms — write_chroms","text":"chrom_list list chromatograms. path_out Path directory writing files. export_format Format export files: either mzml, cdf, csv. write. Either MS1 chrom. force Logical. Whether overwrite existing files. Defaults TRUE. show_progress Logical. Whether show progress bar. Defaults TRUE. verbose Logical. Whether print verbose output. ... Additional arguments write function.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_chroms.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Export chromatograms — write_chroms","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":null,"dir":"Reference","previous_headings":"","what":"Write mzML — write_mzml","title":"Write mzML — write_mzml","text":"function constructs mzML files using streaming XML-writing approach, generating writing XML content directly file connection. method memory-efficient fast, making well-suited large mzML files. However, may less flexible DOM-based methods handling complex XML structures large-scale modifications writing begun.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"ref-usage","dir":"Reference","previous_headings":"","what":"Usage","title":"Write mzML — write_mzml","text":"","code":"write_mzml( data, path_out, sample_name = NULL, what = NULL, instrument_info = NULL, compress = TRUE, indexed = TRUE, force = FALSE, show_progress = TRUE, verbose = getOption(\"verbose\") )"},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"arguments","dir":"Reference","previous_headings":"","what":"Arguments","title":"Write mzML — write_mzml","text":"data List data.frames data.tables containing spectral data. path_out path write file. sample_name name file. name provided, name derived sample_name attribute. streams write mzML: \"ms1\", \"ms2\", \"tic\", \"bpc\", /\"dad\". instrument_info Instrument info write mzML file. compress Logical. Whether use zlib compression. Defaults TRUE. indexed Logical. Whether write indexed mzML. Defaults TRUE. force Logical. Whether overwrite existing files path_out. Defaults FALSE. show_progress Logical. Whether show progress bar. Defaults TRUE. verbose Logical. Whether print status messages.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"value","dir":"Reference","previous_headings":"","what":"Value","title":"Write mzML — write_mzml","text":"Invisibly returns path written mzML file.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"details","dir":"Reference","previous_headings":"","what":"Details","title":"Write mzML — write_mzml","text":"function constructs mzML files writing XML strings directly file connection. approach memory-efficient fast, may less flexible handling complex XML structures. function supports writing various types spectral data including MS1, MS2, TIC (Total Ion Current), BPC (Base Peak Chromatogram), DAD (Diode Array Detector) data. indexed = TRUE, function create indexed mzML file, allows faster random access spectra.","code":""},{"path":"https://ethanbass.github.io/chromConverter/reference/write_mzml.html","id":"author","dir":"Reference","previous_headings":"","what":"Author","title":"Write mzML — write_mzml","text":"Ethan Bass","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-071","dir":"Changelog","previous_headings":"","what":"chromConverter 0.7.1","title":"chromConverter 0.7.1","text":"Fixed automatic file detection directories (e.g., Waters .raw Agilent .D) Fixed bug preventing extraction Waters chromatograms lowercase filenames. Added support extracting metadata ‘Waters’ .raw header files. Added support extraction detector units ‘Waters’ chromatograms.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"major-features-0-7-0","dir":"Changelog","previous_headings":"","what":"Major features","title":"chromConverter 0.7.0","text":"Added preliminary support ‘Varian Worktation’ (.sms) format read_varian_sms function. Added preliminary support ‘Shimadzu QGD’ GCMS files read_shimadzu_qgd function. Added preliminary support ‘Allotrope Simple Model’ (ASM) 2D chromatography date files. Added support reading multiple files ‘Agilent’ .D directories read_agilent_d function. Added internal parser ‘Agilent ChemStation’ MS files read_agilent_ms. Added option write mzML files (MS1 DAD). Added option write ANDI MS netCDF files.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"ui-changes-0-7-0","dir":"Changelog","previous_headings":"","what":"UI changes","title":"chromConverter 0.7.0","text":"Changed order arguments read_chroms format_in comes second path. Removed extraneous export argument read_chroms. export files, now need provide argument export_format. Updated handling multiple chromatograms read_shimadzu_lcd. function now returns list named chromatograms data_format == \"wide\" returns multiple chromatograms single data.frame data_format == \"long\". Added scale argument read_chemstation_uv read_shimadzu_ascii toggle scaling chromatograms. Harmonized file path arguments across parser functions changing file arguments path. Harmonized column names output across parsers. Small changes read_cdf UI: now defaults NULL defaults coded downstream read_andi_chrom read_andi_ms functions. Added extra verbosity read_chroms verbose TRUE.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-improvements-0-7-0","dir":"Changelog","previous_headings":"","what":"Other improvements","title":"chromConverter 0.7.0","text":"Fixed bug causing reticulate attempt reinstallation Aston every time package loaded (due case sensitivity packages names reticulate::configure_environment). Added data.table option format_out. Improved speed read_shimadzu_lcd dealing twos-complements sensibly. Start ‘Shimadzu LCD’ chromatogram retention times dwell time (DLT). Give temp files generated Shimadzu OLE files informative names. Use ‘Output Date’ field instead ‘Type’ find ‘Shimadzu’ ASCII delimiter. (seems generalizable solution since files contain ‘Type’ field). Allow relative paths path_out using ‘ThermoRawFileParser’ ‘OpenChrom’ parsers. Allow creation new directories read_chroms path_out exist. Fixed bug affecting mdf files lacking null bytes file header. Eliminated ‘magrittr’ dependency using xpath parse XML straightforward fashion. Fixed bug causing truncation sample names first period read_chroms. Modified export_csv function label first column wide-format chromatograms. Improved handling metadata rainbow parsers. Fixed error providing single chromatogram . Added metadata field source checksum (SHA1) source file format. minor changes metadata fields. Return times Coordinated Univeral Time (UTC) consistency across systems.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-064","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.4","title":"chromConverter 0.6.4","text":"Added support ‘Agilent ChemStation’ version 8 (.ch) files read_chemstation_ch. Fixed failure return units Agilent Chemstation files due typo. Fixed bug causing “spill-” Agilent metadata fields. Fixed bug causing failure read ChemStation CSV files () mac machines specifying little-endian format call read.csv.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-063","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.3","title":"chromConverter 0.6.3","text":"Added parser total ion chromatogram (TIC) stream ‘Shimadzu’ LCD files. Added additional support extraction metadata ‘Shimadzu’ LCD GCD files. Updated docs read_shimadzu_lcd_2d accurately reflect file structure. Added scale argument read_chemstation_ch read_shimadzu_lcd toggle scaling chromatograms resolving (#30).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-062","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.2","title":"chromConverter 0.6.2","text":"Updated read_shimadzu_lcd function correctly determine number blocks “Shimadzu” LCD PDA stream (thanks kco-hereon). Added preliminary support 2D data streams “Shimadzu LCD” files. Added parser ‘Shimadzu GCD’ files (GC-FID).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-061","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.1","title":"chromConverter 0.6.1","text":"Added support ‘Shimadzu’ ASCII files ‘[LC Chromatogram…]’ sub-header. Correct ‘Shimadzu’ ASCII chromatograms ‘Intensity Multiplier’ provided. Fixed bug logic export_cdfs function permit conversion files lacking metadata. Minor, cosmetic changes documentation.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-060","dir":"Changelog","previous_headings":"","what":"chromConverter 0.6.0","title":"chromConverter 0.6.0","text":"Added parser reading ANDI MS (.cdf) files. Fixed parsing Agilent MS files ‘entab’ reader. Fixed read_chemstation_ch parser correctly read “Mustang Chemstation” 179 files 8-byte encoding. Re-factored read_shimadzu function added support new types chromatograms (e.g. status, uv total ion chromatograms). Added support reading multiple types chromatograms . Added support reading MS spectra ‘Shimadzu’ ascii files using read_shimadzu. Exported write_cdf added additional arguments (lambda force) greater control users. Added internal parser 1D ‘Waters RAW’ chromatograms (read_waters_raw). Added collapse argument call_rainbow collapse superfluous lists. Added ... argument read_chroms supplying additional arguments parsers. Added alias read_chroms reading mzxml files RaMS. Added precision argument call_rainbow control number digits “mz” values rounded . (Also changed default behavior values rounded one decimal default). Fixed bug read_shimadzu_lcd Windows due issue passing escaped paths Python. Updated documentation various functions.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-0-5-0","dir":"Changelog","previous_headings":"","what":"New features","title":"chromConverter 0.5.0","text":"Added support parallel processing pbapply package. (Note: pbapply package must manually installed enable parallel processing). Added internal parser ‘Agilent ChemStation’ version 31 files (read_chemstation_uv function). Added support ‘Agilent OpenLab’ version 131 files internal parser. Added preliminary support reading ‘Agilent’ (.dx) files (read_agilentdx function). Added support reading ‘ChemStation’ REPORT files. Added parser Shimadzu .lcd files read_shimadzu_lcd function. PDA stream (MS) currently supported. Added read_peaklist function reading peak lists. Currently ‘Agilent ChemStation’ ‘Shimadzu ASCII’ formats supported. Added verbose argument control console output external parsers (‘OpenChrom’ ‘ThermoRawFileParser’).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-improvements-0-5-0","dir":"Changelog","previous_headings":"","what":"Other Improvements","title":"chromConverter 0.5.0","text":"Improved automatic filetype detection read_chroms. Refactored read_thermoraw function simplify paths. thermoraw openchrom parsers now use proper temp directory export directory specified path_out argument. Re-factored reshape_chroms, speeding conversion wide long format. Added additional tests, attaining 82% test coverage. Changed default openchrom export format mzml. Minor changes metadata fields better standardize results across different file formats parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"bug-fixes-0-5-0","dir":"Changelog","previous_headings":"","what":"Bug fixes","title":"chromConverter 0.5.0","text":"Corrected ‘Shimadzu’ DAD parser reads wavelengths file instead inferring . Fixed bug causing failure ‘Shimadzu’ ascii parser (== \"peak_table\" read_metadata == TRUE). Fixed bug causing ‘MDF’ files export data.frames format_out == \"matrix\". Fixed misleading data_format attributes ‘Waters ARW’ ‘Chromeleon’ parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-043","dir":"Changelog","previous_headings":"","what":"chromConverter 0.4.3","title":"chromConverter 0.4.3","text":"Fixed bug chemstation_ch parser (version 130) (#17)","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-042","dir":"Changelog","previous_headings":"","what":"chromConverter 0.4.2","title":"chromConverter 0.4.2","text":"Added support parsing “Waters” ascii (.arw) PDA files.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-0-4-1","dir":"Changelog","previous_headings":"","what":"New features","title":"chromConverter 0.4.1","text":"Added support “ChemStation” UV (.ch) files (version 30).","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"minor-improvements-0-4-1","dir":"Changelog","previous_headings":"","what":"Minor improvements","title":"chromConverter 0.4.1","text":"Updated read_chromeleon better deal comma decimal separators metadata. Updated read_chromeleon deal datetime formats. Updated read_chromeleon deal unicode microliters. Added tests rainbow parser read_chemstation_ch.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"bug-fixes-0-4-1","dir":"Changelog","previous_headings":"","what":"Bug fixes","title":"chromConverter 0.4.1","text":"Fixed bug preventing compilation PDF manual. Fixed new bug causing failure correctly read names ‘ChemStation’ files .D directory.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-0-4-0","dir":"Changelog","previous_headings":"","what":"New features","title":"chromConverter 0.4.0","text":"Added parser ANDI chrom cdf files read_cdf function. Added parser ‘Lumex’ .mdf files read_mdf function. Added additional options file exports. New options writing chemstation_csv (utf-16) ANDI chrom cdf files read_chroms. Added preliminary support automatic filetype detection read_chroms providing direct paths files (.e. find_files == FALSE). Added read_varian_peaklist function reading peak lists ‘Varian MS Workstation’.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-improvements-and-bug-fixes-0-4-0","dir":"Changelog","previous_headings":"","what":"Other improvements and bug fixes:","title":"chromConverter 0.4.0","text":"Added wide long data_format options 2D data, wide format option writes retention times rownames matrix data.frame. long format writes retention times first column object. Updated configure_openchrom better discovery ‘OpenChrom’ path added path argument directly specifying path ‘OpenChrom’. Slightly restructured metadata fields. Added source_file field track data origin. Standardized datetime stamps always converted POSIXct format. Now use fs package parsing paths, eliminating buggy check_paths function. Fixed bug causing sloppy ‘ChemStation’ FID metadata. Fixed bug caused padding ‘ChemStation 130’ files extra zeros. Added additional tests.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-033","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.3","title":"chromConverter 0.3.3","text":"Added R-based parser “ChemStation” UV (.uv) files (version 131) read_chemstation_uv function. Added extract_metadata function extracting metadata list chromatograms returning data.frame tibble. Added progress_bar option read_chroms. Updated reshape_chroms reshape_chrom allow switching “wide” “long” formats. Added wide format option read_mzml. Added automatic detection file formats read_chroms. Minor changes storage metadata attributes purpose simplification. Fixed bug preventing removal file extensions ‘Agilent’ data using read_chroms. Standardized run date/time metadata POSIXct format. Minor updates documentation.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-032","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.2","title":"chromConverter 0.3.2","text":"Fix ‘Shimadzu’ ascii parser can cope variable entries PDA header.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-031","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.1","title":"chromConverter 0.3.1","text":"Added support “ChemStation” UV (.ch) files (version 130). Added provisional support “ChemStation” FID (version 8). Changed name read_chemstation_fid function read_chemstation_ch. Ignore case matching file extensions read_chroms. Added note README configuring RStudio correctly accessing python parsers.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-030","dir":"Changelog","previous_headings":"","what":"chromConverter 0.3.0","title":"chromConverter 0.3.0","text":"Fixed bug causing “Chromeleon” metadata parser fail. Fixed bug “ChemStation” metadata parser. Changed format_data argument data_format select wide long format. Added support parsing mzML files RaMS. Added support parsing “Agilent” (.D) “Waters” (.raw) files rainbow. Made data_format option available consistently choosing wide long format. Added parser R “ChemStation” FID (.ch) data (versions 81, 179 & 181). Improved error handling loading python modules. Improved error-handling parsing metadata small problems longer error whole program.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"shimadzu-ascii-parser-0-3-0","dir":"Changelog","previous_headings":"","what":"Shimadzu ascii parser","title":"chromConverter 0.3.0","text":"Fixed bug ‘Shimadzu’ ascii parser cutting chromatograms short. Added automatic detection decimal separator reading European-style files. Generalized algorithm acquire ‘Shimadzu’ DAD metadata.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-022","dir":"Changelog","previous_headings":"","what":"chromConverter 0.2.2","title":"chromConverter 0.2.2","text":"Fixed bug call_openchrom can actually find ‘OpenChrom’ path. Fixed bug call_openchrom allow ‘animl’ valid export_format. Allow ‘Thermo RAW’ files parsed using ‘Entab’.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-021","dir":"Changelog","previous_headings":"","what":"chromConverter 0.2.1","title":"chromConverter 0.2.1","text":"CRAN release: 2022-07-11 Added configure_aston function configuration Aston parsers fixed issues configuration Aston.","code":""},{"path":[]},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"new-features-and-formats-0-2-0","dir":"Changelog","previous_headings":"","what":"New features and formats","title":"chromConverter 0.2.0","text":"Added read_shimadzu function parsing ‘Shimadzu’ ascii files. Added read_chromeleon function parsing ‘Chromeleon’ ascii files. Added read_thermoraw function convert ‘Thermo Raw’ files calling ‘ThermoRawFileParser’. Added read_mzml function extract UV data mzML files using mzR. Added call_entab function calling Entab parsers. Added call_openchrom call OpenChrom parsers command-line interface. (new functions described can called read_chroms function setting format_in parser arguments). New option read attach instrumental metadata chromatograms setting read_metadata = TRUE read_chroms.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"simplification-of-read_chroms-syntax-0-2-0","dir":"Changelog","previous_headings":"","what":"Simplification of read_chroms syntax","title":"chromConverter 0.2.0","text":"read_chroms now automatically assign parser parser isn’t specified. read_chroms throw informative errors mismatch format_in parser arguments. read_chroms try automatically determine files directories provided.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"other-changes-to-read_chroms-syntax-0-2-0","dir":"Changelog","previous_headings":"","what":"Other changes to read_chroms syntax:","title":"chromConverter 0.2.0","text":"Dots replaced underscores arguments read_chroms internal syntactical consistency across package. Thus: argument specify format R objects changed R.format format_out. argument specify format exported files changed format.export_format.","code":""},{"path":"https://ethanbass.github.io/chromConverter/news/index.html","id":"chromconverter-010","dir":"Changelog","previous_headings":"","what":"chromConverter 0.1.0","title":"chromConverter 0.1.0","text":"CRAN release: 2022-04-19 Added NEWS.md file track changes package.","code":""}]