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>.

Version: 0.62.3
Depends: R (≥ 2.10.0)
Imports: beeswarm, CorMID, InterpretMSSpectrum, openxlsx, plyr
Published: 2024-02-26
DOI: 10.32614/CRAN.package.HiResTEC
Author: Jan Lisec ORCID iD [aut, cre], Friederike Hoffmann [aut]
Maintainer: Jan Lisec <jan.lisec at bam.de>
License: GPL-3
URL: https://github.com/janlisec/HiResTEC
NeedsCompilation: yes
Language: en-US
Citation: HiResTEC citation info
Materials: README
CRAN checks: HiResTEC results


Reference manual: HiResTEC.pdf


Package source: HiResTEC_0.62.3.tar.gz
Windows binaries: r-devel: HiResTEC_0.62.3.zip, r-release: HiResTEC_0.62.3.zip, r-oldrel: HiResTEC_0.62.3.zip
macOS binaries: r-release (arm64): HiResTEC_0.62.3.tgz, r-oldrel (arm64): HiResTEC_0.62.3.tgz, r-release (x86_64): HiResTEC_0.62.3.tgz, r-oldrel (x86_64): HiResTEC_0.62.3.tgz
Old sources: HiResTEC archive


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