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: 0.63.1 Depends: R (≥ 3.5) Imports: CorrectOverloadedPeaks (≥ 1.3.5), plyr Suggests: beeswarm, CorMID, InterpretMSSpectrum, knitr, openxlsx, rmarkdown Published: 2025-02-27 DOI: 10.32614/CRAN.package.HiResTEC Author: Jan Lisec [aut, cre], Friederike Hoffmann [aut] Maintainer: Jan Lisec <jan.lisec at bam.de> License: GPL-3 URL: https://github.com/janlisec/HiResTEC, https://janlisec.github.io/HiResTEC/ NeedsCompilation: yes Language: en-US Citation: HiResTEC citation info Materials: README, NEWS CRAN checks: HiResTEC results Documentation: Downloads: Linking:Please use the canonical form https://CRAN.R-project.org/package=HiResTEC to link to this page.
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