Analyzes and modifies metabolomics raw data (generated using 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 an Isotopic-Ratio approach. Quality control plots are generated and corrected data are stored within the original 'xcmsRaw' or 'mzXML' respectively to allow further processing.
Package details |
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Author | Jan Lisec [aut, cre] (<https://orcid.org/0000-0003-1220-2286>) |
Maintainer | Jan Lisec <jan.lisec@bam.de> |
License | GPL-3 |
Version | 1.3.5 |
URL | https://github.com/janlisec/CorrectOverloadedPeaks |
Package repository | View on CRAN |
Installation |
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