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.
Package details |
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Author | Jan Lisec [aut, cre] |
Maintainer | Jan Lisec <jan.lisec@bam.de> |
License | GPL-3 |
Version | 1.3.3 |
URL | <doi:10.1021/acs.analchem.6b02515> |
Package repository | View on CRAN |
Installation |
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