baitmet: Library Driven Compound Profiling in Gas Chromatography - Mass Spectrometry Data

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.

Getting started

Package details

AuthorXavier Domingo-Almenara, Jesus Brezmes, Gabriela Venturini, Gabriel Vivo-Truyols, Alexandre Perera-Lluna, Maria Vinaixa.
MaintainerXavier Domingo-Almenara <[email protected]>
LicenseGPL (>= 2)
Package repositoryView on CRAN
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baitmet documentation built on May 31, 2017, 8:22 p.m.