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.

AuthorMartin Loos, Francesco Corona
Date of publication2014-07-22 21:18:38
MaintainerMartin Loos <Martin.Loos@eawag.ch>
LicenseGPL-3
Version1.1

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Files in this package

nontargetData
nontargetData/NAMESPACE
nontargetData/data
nontargetData/data/OrbitrapXL_VelosPro_R60000at400_q.rda
nontargetData/data/datalist
nontargetData/MD5
nontargetData/DESCRIPTION
nontargetData/man
nontargetData/man/OrbitrapXL_VelosPro_R60000at400_q.Rd nontargetData/man/nontargetData-package.Rd

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