Quantized simulation data of isotope pattern centroids


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.


Package: nontargetData
Type: Package
Version: 1.0
Date: 2014-07-22
License: GPL-3


Martin Loos, Francesco Corona Maintainer: Martin Loos <Martin.Loos@eawag.ch>

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