Package: postvocs 0.2.5

Xiaotao Han
postvocs: Post-Processing Tools for GC-MS Volatile Organic Compound Data
Provides functions for processing Shimadzu gas chromatography-mass spectrometry (GC-MS) exported text files, extracting Chemical Abstracts Service (CAS) numbers and peak areas, building abundance matrices, annotating compounds, and screening based on occurrence frequency. The package is designed for organizing, identifying, and screening volatile compounds in metabolomics and environmental studies.
Authors:
postvocs_0.2.5.tar.gz
postvocs_0.2.5.zip(r-4.7-any)postvocs_0.2.5.zip(r-4.6-any)postvocs_0.2.5.zip(r-4.5-any)
postvocs_0.2.5.tgz(r-4.6-any)postvocs_0.2.5.tgz(r-4.5-any)
postvocs_0.2.5.tar.gz(r-4.7-any)postvocs_0.2.5.tar.gz(r-4.6-any)
postvocs_0.2.5.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
postvocs/json (API)
| # Install 'postvocs' in R: |
| install.packages('postvocs', repos = c('https://hanxt97.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/hanxt97/postvocs/issues
Last updated from:563b697c6b. Checks:9 OK. Indexed: yes.
| Target | Result | Time | Files | Syslog |
|---|---|---|---|---|
| linux-devel | OK | 104 | ||
| source / vignettes | OK | 207 | ||
| linux-release | OK | 126 | ||
| macos-release | OK | 169 | ||
| macos-oldrel | OK | 156 | ||
| windows-devel | OK | 81 | ||
| windows-release | OK | 82 | ||
| windows-oldrel | OK | 64 | ||
| wasm-release | OK | 94 |
Exports:annotate_compoundsbatch_process_gcmsbuild_cas_abundanceextract_peak_areasfilter_by_frequencyprocess_gcms_txtsave_gcms_resultssave_postvocs_results
Dependencies:askpassbase64encbitbit64blobcachemcellrangerclicpp11crayoncurldata.treeDBIdigestdplyrfastmapgenericsgluehmshoardrhttrjsonlitelifecyclemagrittrmemoisemimeopensslopenxlsxpillarpkgconfigprettyunitsprogresspurrrR6rappdirsRcppreadxlrematchrlangRSQLitervestselectrstringistringrsystibbletidyrtidyselectutf8vctrswebchemwithrxml2zip
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Annotate CAS numbers with chemical information | annotate_compounds |
| Batch process GC-MS TXT files in a directory with sample name mapping | batch_process_gcms |
| Build a CAS × Sample abundance matrix from extracted peak areas | build_cas_abundance |
| Extract CAS and total peak areas from GC-MS results | extract_peak_areas |
| Filter compounds by occurrence frequency across samples and treatment groups | filter_by_frequency |
| Parse a single GC-MS exported TXT file | process_gcms_txt |
| Save GC-MS parsing results to CSV or Excel files | save_gcms_results |
| Save postvocs results to CSV or Excel files | save_postvocs_results |
