plotisotopes:
Plot of isotope counts over isotope pattern groups or components.
Description
Plots and prints counts of m/z isotope differences detected either by pattern.search or by combine.
Value
Dataframe listing counts
Details
The function allows to track the number of m/z isotope differences (a) over individual pairs of peaks and (b) aggregated over isotope pattern groups (argument pattern)
or (c) aggregated over components and (d) aggregated over components within small mass tolerance (argument comp).
The small mass tolerance is defined by the massfrac and mztol arguments of pattern.search and adduct.search.