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.

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Description file content

Package
CorrectOverloadedPeaks
Type
Package
Title
Correct Overloaded Peaks from GC-APCI-MS Data
Version
1.2.15
Date
2018-07-10
Author
Jan Lisec [aut, cre]
Description
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.
License
GPL-3
URL
VignetteBuilder
knitr
Depends
R(>= 2.10.0)
Imports
xcms, XML, digest, bitops
Suggests
knitr, rmarkdown
RoxygenNote
6.0.1
NeedsCompilation
no
Packaged
2018-07-10 09:18:54 UTC; jlisec
Maintainer
Jan Lisec
Repository
CRAN
Date/Publication
2018-07-10 11:00:03 UTC

install.packages('CorrectOverloadedPeaks')

1.2.15

6 days ago

http://dx.doi.org/10.1021/acs.analchem.6b02515

Jan Lisec

GPL-3

Depends on

R(>= 2.10.0)

Imports

xcms, XML, digest, bitops

Suggests

knitr, rmarkdown

Discussions