CorrectOverloadedPeaks (1.2.14)

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Correct Overloaded Peaks from GC-APCI-MS Data.

http://dx.doi.org/10.1021/acs.analchem.6b02515
http://cran.r-project.org/web/packages/CorrectOverloadedPeaks

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.

Maintainer: Jan Lisec
Author(s): Jan Lisec [aut, cre]

License: GPL-3

Uses: caTools, digest, XML, knitr, rmarkdown

Released 10 months ago.


1 previous version

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