gcms2: Data from a GC-MS experiment

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

Description

A data matrix from a real pure standards GC-MS experiment.

Usage

data(gcms2)

Details

Data taken from the experiment used in [1] (See references below). This data matrix includes two compounds appearing in co-elution, concretely, the appearing compounds are: methionine and aspartic acid. The data in gcms1 and gcms2 only comprises the m/z from 35 to 600. So the first element of the column in gcms2 corresponds to the mass m/z 35. Please, note that the fragments at m/z 73, 74, 75, 147, 148, and 149, were excluded from the analysis (have zero intensity).

Author(s)

[1] Domingo-Almenara X, et al. Compound deconvolution in GC-MS-based metabolomics by blind source separation. Journal of Chromatography A (2015). Vol. 1409: 226-233. DOI: 10.1016/j.chroma.2015.07.044

See Also

osd, gcms1, ref.spects

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