consolidateReactions: Merge reactions with identical mass differences

Description Usage Arguments Author(s)

View source: R/masses.R

Description

Merges reactions with identical mass difference within eps to avoid creating duplicate reaction products. Of multiple reactions, the "simplest" one will be kept, i.e. if one is already combined (contains a separator as specified by sep and the other is not, the "shorter" path will be kept.

Usage

1
consolidateReactions(reactions, eps = 2e-04, sep = "-")

Arguments

reactions

Data frame with name and mass.

eps

Merging margin, absolute

sep

Reaction separator token to filter/count for priority

Author(s)

stravsmi


meowcat/RMassScreening documentation built on Jan. 9, 2020, 10:49 p.m.