nontargetData: 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 unique 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 details

AuthorMartin Loos, Francesco Corona
MaintainerMartin Loos <>
Package repositoryView on CRAN
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nontargetData documentation built on May 2, 2019, 4:01 p.m.