R: Quantized simulation data of isotope pattern centroids
nontargetData-package
R Documentation
Quantized simulation data of isotope pattern centroids
Description
Data sets for isotope pattern grouping of LC-HRMS peaks with package nontarget.
Based on a vast set of PubChem molecular formulas, quantized (a) m/z, (b) m/z differences, (c) intensity ratios and (d) marker centroids
of simulated centroid pairs are listed for different instrument resolutions.
Details
Package:
nontargetData
Type:
Package
Version:
1.0
Date:
2014-07-22
License:
GPL-3
Author(s)
Martin Loos, Francesco Corona
Maintainer: Martin Loos <Martin.Loos@eawag.ch>