osd: Orthogonal Signal Deconvolution for Spectra Deconvolution in GC-MS and GCxGC-MS Data

Share:

Compound deconvolution for chromatographic data, including gas chromatography - mass spectrometry (GC-MS) and comprehensive gas chromatography - mass spectrometry (GCxGC-MS). The package includes functions to perform independent component analysis - orthogonal signal deconvolution (ICA-OSD), independent component regression (ICR), multivariate curve resolution (MCR-ALS) and orthogonal signal deconvolution (OSD) alone.

Author
Xavier Domingo-Almenara
Date of publication
2016-03-10 00:10:22
Maintainer
Xavier Domingo-Almenara <xavier.domingo@urv.cat>
License
GPL (>= 2)
Version
0.1

View on CRAN

Man pages

gcms1
Data from a GC-MS experiment
gcms2
Data from a GC-MS experiment
normalize
Matrix or vector normalization
osd
Orthogonal Signal Deconvolution
plotOSDres
Plotting OSD objects
ref.spects
Five MS reference spectra from the MassBank MS library for...

Files in this package

osd
osd/NAMESPACE
osd/data
osd/data/gcms2.rda
osd/data/ref.spects.rda
osd/data/gcms1.rda
osd/R
osd/R/getS.OSD.R
osd/R/JADE.R
osd/R/getS_wOSD.R
osd/R/mcr.resolution.R
osd/R/plotOSDres.R
osd/R/ica.resolution.R
osd/R/mcrnonneg.R
osd/R/nonnegreg.R
osd/R/chrom.isoreg.R
osd/R/normalize.R
osd/R/refine.extraction.R
osd/R/osd.R
osd/R/is.even.R
osd/MD5
osd/DESCRIPTION
osd/man
osd/man/ref.spects.Rd
osd/man/gcms2.Rd
osd/man/osd.Rd
osd/man/gcms1.Rd
osd/man/plotOSDres.Rd
osd/man/normalize.Rd