Package: HiResTEC 0.62.3
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 peak list 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_0.62.3.tar.gz
HiResTEC_0.62.3.zip(r-4.5)HiResTEC_0.62.3.zip(r-4.4)HiResTEC_0.62.3.zip(r-4.3)
HiResTEC_0.62.3.tgz(r-4.4-x86_64)HiResTEC_0.62.3.tgz(r-4.4-arm64)HiResTEC_0.62.3.tgz(r-4.3-x86_64)HiResTEC_0.62.3.tgz(r-4.3-arm64)
HiResTEC_0.62.3.tar.gz(r-4.5-noble)HiResTEC_0.62.3.tar.gz(r-4.4-noble)
HiResTEC_0.62.3.tgz(r-4.4-emscripten)HiResTEC_0.62.3.tgz(r-4.3-emscripten)
HiResTEC.pdf |HiResTEC.html✨
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
- mz_shift_corrector - Predefined mass search windows to be used internally.
- res_list - The main results object of a non-targeted search for tracer incorporation.
- sam - Sample table
- xcms_cand - Dataframe with putative candidates
Last updated 9 months agofrom:5480c46dbb. Checks:OK: 9. Indexed: yes.
| Target | Result | Date |
|---|---|---|
| Doc / Vignettes | OK | Nov 22 2024 |
| R-4.5-win-x86_64 | OK | Nov 22 2024 |
| R-4.5-linux-x86_64 | OK | Nov 22 2024 |
| R-4.4-win-x86_64 | OK | Nov 22 2024 |
| R-4.4-mac-x86_64 | OK | Nov 22 2024 |
| R-4.4-mac-aarch64 | OK | Nov 22 2024 |
| R-4.3-win-x86_64 | OK | Nov 22 2024 |
| R-4.3-mac-x86_64 | OK | Nov 22 2024 |
| R-4.3-mac-aarch64 | OK | Nov 22 2024 |
Exports:DeconvoluteSpectrumEvaluateCandidateListAgainstRawDataEvaluatePairsFromXCMSSetGenerateCandXLSXGenerateQCPlotsgetMultipleBPCplotBPCplotMID
Dependencies:beeswarmCorMIDenviPatInterpretMSSpectrumopenxlsxplyrRcppstringizip
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| DeconvoluteSpectrum. | DeconvoluteSpectrum |
| EvaluateCandidateListAgainstRawData. | EvaluateCandidateListAgainstRawData |
| EvaluatePairsFromXCMSSet. | EvaluatePairsFromXCMSSet |
| GenerateCandXLSX. | GenerateCandXLSX |
| GenerateQCPlots. | GenerateQCPlots |
| getMultipleBPC. | getMultipleBPC |
| Predefined mass search windows to be used internally. | mz_shift_corrector |
| plotBPC. | plotBPC |
| plotMID. | plotMID |
| The main results object of a non-targeted search for tracer incorporation. | res_list |
| Sample table | sam |
| Dataframe with putative candidates | xcms_cand |
