plotisotopes: Plot of isotope counts over isotope pattern groups or...
In nontarget: Detecting Isotope, Adduct and Homologue Relations in LC-MS Data

Description Usage Arguments Details Value Author(s) See Also

Plots and prints counts of m/z isotope differences detected either by pattern.search or by combine.

1	plotisotopes(input)

input

Either list of type pattern produced by pattern.search or a list of type comp produced by combine

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.

Dataframe listing counts

Martin Loos

pattern.search combine

nontarget documentation built on May 2, 2019, 2:32 a.m.