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.
|Author||Martin Loos, Francesco Corona|
|Maintainer||Martin Loos <[email protected]>|
|Package repository||View on CRAN|
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