CorrectOverloadedPeaks: 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.

Install the latest version of this package by entering the following in R:
install.packages("CorrectOverloadedPeaks")
AuthorJan Lisec [aut, cre]
Date of publication2016-08-30 18:47:51
MaintainerJan Lisec <jan.lisec@charite.de>
LicenseGPL-3
Version1.2.14
http://dx.doi.org/10.1021/acs.analchem.6b02515

View on CRAN

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

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