Correct Overloaded Peaks from GC-APCI-MS Data

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.


Reference manual

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1.2.14 by Jan Lisec, a year ago

Browse source code at

Authors: Jan Lisec [aut, cre]

Documentation:   PDF Manual  

GPL-3 license

Imports xcms, XML, digest, caTools

Suggests knitr, rmarkdown

See at CRAN