Analyzes and modifies metabolomics raw data (generated using GC-APCI-MS, Gas Chromatography-Atmospheric Pressure Chemical Ionization-Mass Spectrometry) to correct overloaded signals, i.e. ion intensities exceeding detector saturation leading to a cut-off peak. Data in xcmsRaw format are accepted as input and mzXML files can be processed alternatively. Overloaded signals are detected automatically and modified using an Gaussian or Isotopic-Ratio approach, QC plots are generated and corrected data are stored within the original xcmsRaw or mzXML respectively to allow further processing.
| Version: | 1.3.3 |
| Depends: | R (≥ 2.10.0) |
| Suggests: | bitops, digest, knitr, methods, rmarkdown, xcms, XML, xml2 |
| Published: | 2023-09-08 |
| DOI: | 10.32614/CRAN.package.CorrectOverloadedPeaks |
| Author: | Jan Lisec [aut, cre] |
| Maintainer: | Jan Lisec <jan.lisec at bam.de> |
| License: | GPL-3 |
| URL: | <doi:10.1021/acs.analchem.6b02515> |
| NeedsCompilation: | no |
| Citation: | CorrectOverloadedPeaks citation info |
| CRAN checks: | CorrectOverloadedPeaks results |
| Reference manual: | CorrectOverloadedPeaks.pdf |
| Vignettes: |
CorrectOverloadedPeaks: a computational tool for automatic correction of overloaded signals in GC-APCI-MS |
| Package source: | CorrectOverloadedPeaks_1.3.3.tar.gz |
| Windows binaries: | r-devel: CorrectOverloadedPeaks_1.3.3.zip, r-release: CorrectOverloadedPeaks_1.3.3.zip, r-oldrel: CorrectOverloadedPeaks_1.3.3.zip |
| macOS binaries: | r-release (arm64): CorrectOverloadedPeaks_1.3.3.tgz, r-oldrel (arm64): CorrectOverloadedPeaks_1.3.3.tgz, r-release (x86_64): CorrectOverloadedPeaks_1.3.3.tgz, r-oldrel (x86_64): CorrectOverloadedPeaks_1.3.3.tgz |
| Old sources: | CorrectOverloadedPeaks archive |
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