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osd (version 0.1)

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

Description

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.

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Version

Install

install.packages('osd')

Monthly Downloads

127

Version

0.1

License

GPL (>= 2)

Last Published

March 9th, 2016

Functions in osd (0.1)

osd

Orthogonal Signal Deconvolution
gcms1

Data from a GC-MS experiment
plotOSDres

Plotting OSD objects
gcms2

Data from a GC-MS experiment
normalize

Matrix or vector normalization
ref.spects

Five MS reference spectra from the MassBank MS library for spectra comparison