baitmet (1.0.1)

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Library Driven Compound Profiling in Gas Chromatography - Mass Spectrometry Data.

http://metabolomicsplatform.com/
http://cran.r-project.org/web/packages/baitmet

Automated quantification of metabolites by targeting mass spectral/retention time libraries into full scan-acquired gas chromatography - mass spectrometry (GC-MS) chromatograms. Baitmet outputs a table with compounds name, spectral matching score, retention index error, and compounds area in each sample. Baitmet can automatically determine the compounds retention indexes with or without co-injection of internal standards with samples.

Maintainer: Xavier Domingo-Almenara
Author(s): Xavier Domingo-Almenara, Jesus Brezmes, Gabriela Venturini, Gabriel Vivo-Truyols, Alexandre Perera-Lluna, Maria Vinaixa.

License: GPL (>= 2)

Uses: erah, HiClimR, Rcpp, signal, XML, R.rsp

Released over 2 years ago.


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