Package: HiResTEC 0.63.2
HiResTEC: Non-Targeted Fluxomics on High-Resolution Mass-Spectrometry Data
Identifying labeled compounds in a 13C-tracer experiment in non-targeted fashion is a cumbersome process. This package facilitates such type of analyses by providing high level quality control plots, deconvoluting and evaluating spectra, and performing a multitude of tests in an automatic fashion. The main idea is to use changing intensity ratios of ion pairs from a peak list, i.e. generated with 'xcms' as candidates and evaluate those against base peak chromatograms and spectra information within the raw measurement data automatically. The functionality is described in Hoffmann et al. (2018) <doi:10.1021/acs.analchem.8b00356>.
Authors:
HiResTEC_0.63.2.tar.gz
HiResTEC_0.63.2.zip(r-4.7)HiResTEC_0.63.2.zip(r-4.6)HiResTEC_0.63.2.zip(r-4.5)
HiResTEC_0.63.2.tgz(r-4.6-x86_64)HiResTEC_0.63.2.tgz(r-4.6-arm64)HiResTEC_0.63.2.tgz(r-4.5-x86_64)HiResTEC_0.63.2.tgz(r-4.5-arm64)
HiResTEC_0.63.2.tar.gz(r-4.7-arm64)HiResTEC_0.63.2.tar.gz(r-4.7-x86_64)HiResTEC_0.63.2.tar.gz(r-4.6-arm64)HiResTEC_0.63.2.tar.gz(r-4.6-x86_64)
HiResTEC_0.63.2.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
HiResTEC/json (API)
| # Install 'HiResTEC' in R: |
| install.packages('HiResTEC', repos = c('https://janlisec.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/janlisec/hirestec/issues
Pkgdown/docs site:https://janlisec.github.io
Datasets:
- mz_shift_corrector - Different example data files to be used in the help section of 'HiResTEC' functions.
- raw - Different example data files to be used in the help section of 'HiResTEC' functions.
- res_list - Different example data files to be used in the help section of 'HiResTEC' functions.
- sam - Different example data files to be used in the help section of 'HiResTEC' functions.
- xcms_cand - Different example data files to be used in the help section of 'HiResTEC' functions.
Last updated from:e9fc805c2d. Checks:13 OK. Indexed: yes.
| Target | Result | Time | Files | Syslog |
|---|---|---|---|---|
| linux-devel-arm64 | OK | 159 | ||
| linux-devel-x86_64 | OK | 173 | ||
| source / vignettes | OK | 208 | ||
| linux-release-arm64 | OK | 138 | ||
| linux-release-x86_64 | OK | 189 | ||
| macos-release-arm64 | OK | 103 | ||
| macos-release-x86_64 | OK | 165 | ||
| macos-oldrel-arm64 | OK | 79 | ||
| macos-oldrel-x86_64 | OK | 271 | ||
| windows-devel | OK | 101 | ||
| windows-release | OK | 80 | ||
| windows-oldrel | OK | 83 | ||
| wasm-release | OK | 165 |
Exports:DeconvoluteSpectrumEvaluateCandidateListAgainstRawDataEvaluatePairsFromXCMSSetGenerateCandXLSXGenerateQCPlotsgetMultipleBPCplotBPCplotMID
Dependencies:CorrectOverloadedPeaks
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Deconvolute a Mass Spectrum from a list of raw data files. | DeconvoluteSpectrum |
| Evaluate m/z pairs against raw data. | EvaluateCandidateListAgainstRawData |
| Identify and evaluate mz pairs from a peak list. | EvaluatePairsFromXCMSSet |
| Generate a table for the candidates obtained in EvaluateCandidateListAgainstRawData. | GenerateCandXLSX |
| Generate quality control plots for mz pair candidates. | GenerateQCPlots |
| Extract multiple ion chromatograms from mass spectrometry data. | getMultipleBPC |
| Plot base peak chromatograms for multiple high resolution masses in multiple samples. | plotBPC |
| Plot a Mass Isotopomer Distribution (MID) for multiple samples. | plotMID |
| Different example data files to be used in the help section of `HiResTEC` functions. | mz_shift_corrector raw res_list sam xcms_cand |
