This packages provides a flexible, fast and accurate method for targeted pre-processing of GC-MS data. The user provides a (often very large) set of GC chromatograms and a metabolite library of targets. The package will automatically search those targets in the chromatograms resulting in a data matrix that can be used for further data analysis.
This software is part of the Bioconductor project.
https://bioconductor.org/packages/release/bioc/html/TargetSearch.html
This git repository mirrors the TargetSearch git repository on Bioconductor,
which is available here: https://code.bioconductor.org/browse/TargetSearch/
Please follow the instructions on TargetSearch's page on Bioconductor site
linked above. In short:
if (!requireNamespace("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("TargetSearch")
Cuadros-Inostroza A, Caldana C, Redestig H, Lisec J, Pena-Cortes H, Willmitzer L, Hannah MA (2009). "TargetSearch - a Bioconductor package for the efficient pre-processing of GC-MS metabolite profiling data." BMC Bioinformatics, 10, 428. doi:10.1186/1471-2105-10-428.
Please report bugs at https://github.com/acinostroza/TargetSearch/issues
The code is licensed under the GNU Public License version 2.0 or greater
(SPDX License ID: GPL-2.0-or-later).
To obtain a copy of the license, see: https://www.gnu.org/licenses/old-licenses/gpl-2.0.html