plotisotopes: Plot of isotope counts over isotope pattern groups or...

View source: R/plotisotopes.R

plotisotopesR Documentation

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.

Usage

plotisotopes(input)

Arguments

input

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

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.

Value

Dataframe listing counts

Author(s)

Martin Loos

See Also

pattern.search combine


blosloos/nontarget documentation built on June 2, 2022, 3:53 p.m.