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enviPat

Fast and very memory-efficient calculation of isotope patterns, subsequent convolution to theoretica...
enviPick

Sequential partitioning, clustering and peak detection of centroided LC-MS mass spectrometry data (....
isopat

The function calculates the isotopic pattern (fine structures) for a given chemical formula.
nontarget

Screening a HRMS data set for peaks related by (1) isotope patterns, (2) different adducts of the sa...
nontargetData

Data sets for isotope pattern grouping of LC-HRMS peaks with package nontarget. Based on a vast set ...

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