diffGetPeaksIndex: Find pairs of mass peaks corresponding to a specific mass...

In kbseah/mass2adduct: Mass Spectrometry Imaging Molecular Adduct Finder

Description

From a set of all possible mass pairs, find all pairs corresponding to a specific mass difference, which might represent a molecular transformation of interest.

Usage

diffGetPeaksIndex(diff, by = c("diff", "parent"), mass = NULL,
  width = 0.001)

Arguments

diff	massdiff; output from massdiff
by	string; Subset the mass by mass difference (putative adduct transformation) ("diff") or by parent ion ("parent")?
mass	numeric; mass of putative adduct or parent ion in m/z units
width	numeric; range of values to use

Value

subset of the original data frame d where the mass difference or parent ion is close to the specified mass of interest (within the specified width)

kbseah/mass2adduct documentation built on June 9, 2021, 9:20 p.m.