plotOSDres: Plotting OSD objects

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

Description

Plots the results determined by osd function. Profile or spectra resolution can be selected for visualization.

Usage

plotOSDres(OSDobj, type = c("eic", "tic", "s"), ncomp = vector(),
 comp.spectra = vector(), mztxt.top = 5)

Arguments

OSDobj	the osd selected for plotting
type	the type of resolution to be plotted. Concentration resolution can be shown by its extracted ion chromatogram (EIC) "eic" or by its ion total chromatogram "tic". Also, the spectra for each compound in the model can be shown by "s".
ncomp	vector; the compounds to be plotted. If spectra is selected for visualization, please select only one compound to plot.
comp.spectra	a vector to compare a resolved spectra with.
mztxt.top	integer; the number of the m/z values ordered by intensity to visualize on the spectra plot

Author(s)

Xavier Domingo-Almenara. [e-mail]

See Also

osd

Examples

#load GC-MS sample data, containing three different metabolites 
#appearing in co-elution.
data(gcms1)

#resolve the situation using ICA-OSD algorithm
resolution <- osd(D=gcms1, k=3, res.method="ica.osd")

#plot the resolution, the extracted ion chromatogram (m/z) are plotted 
# in grey whereas the profile matrix appear in color.
plotOSDres(resolution, type="eic")
plotOSDres(resolution, type="tic")

#plot each resolved spectra for compound 1 to 3.
plotOSDres(resolution, type="s",1)
plotOSDres(resolution, type="s",2)
plotOSDres(resolution, type="s",3)

Example output

osd documentation built on May 2, 2019, 7 a.m.