OSD: AN R PACKAGE FOR GC-MS DATA PROCESSING
OSD is an R package for compound deconvolution for GC-MS data. The package includes functions to perform orthogonal signal deconvolution (OSD), independent component regression (ICR) and multivariate curve resolution (MCR-ALS).
The osd R package is freely available on the Comprehensive R Archive Network (CRAN) at http://CRAN.R-project.org/package=osd
Different examples for the use of the OSD package can be found in the help attached in the package. More information can be found in the following papers:
[1] Domingo-Almenara X, Perera A, Ramirez N, Cañellas N, Correig X, Brezmes J. Compound identification in gas chromatography/mass spectrometry-based metabolomics by blind source separation. Journal of Chromatography A (2015). Vol. 1409: 226-233. doi: 10.1016/j.chroma.2015.07.044.
[2] Domingo-Almenara X, Perera A, Ramirez N, Brezmes J. Automated resolution of chromatographic signals by independent component analysis–orthogonal signal deconvolution in comprehensive gas chromatography/mass spectrometry-based metabolomics. Computer Methods and Programs in Biomedicine Vol. 130 (2016) 135-141. doi: 10.1016/j.cmpb.2016.03.007