HiResTEC

Non-Targeted Fluxomics on High-Resolution Mass-Spectrometry Data

Identifying labeled compounds in a 13C-tracer experiment in non-targeted fashion is a cumbersome process. This package facilitates such type of analyses by providing high level quality control plots, deconvoluting and evaluating spectra and performing a multitude of tests in an automatic fashion. The main idea is to use changing intensity ratios of ion pairs from peak list generated with 'xcms' as candidates and evaluate those against base peak chromatograms and spectra information within the raw measurement data automatically.

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Description file content

Package
HiResTEC
Type
Package
Title
Non-Targeted Fluxomics on High-Resolution Mass-Spectrometry Data
Version
0.54
Date
2018-08-07
Maintainer
Jan Lisec
Description
Identifying labeled compounds in a 13C-tracer experiment in non-targeted fashion is a cumbersome process. This package facilitates such type of analyses by providing high level quality control plots, deconvoluting and evaluating spectra and performing a multitude of tests in an automatic fashion. The main idea is to use changing intensity ratios of ion pairs from peak list generated with 'xcms' as candidates and evaluate those against base peak chromatograms and spectra information within the raw measurement data automatically.
License
GPL-3
LazyData
TRUE
Depends
R(>= 2.10.0)
Imports
xcms, plyr, openxlsx, InterpretMSSpectrum, Rdisop, beeswarm, Biobase
RoxygenNote
6.0.1
NeedsCompilation
yes
Packaged
2018-08-07 12:43:49 UTC; jlisec
Author
Jan Lisec [aut, cre], Friederike Hoffmann [aut]
Repository
CRAN
Date/Publication
2018-08-07 13:20:02 UTC

install.packages('HiResTEC')

0.54

4 months ago

Jan Lisec

GPL-3

Depends on

R(>= 2.10.0)

Imports

xcms, plyr, openxlsx, InterpretMSSpectrum, Rdisop, beeswarm, Biobase

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