compute_massdiff: Compute mass differences between 2 lists of adducts

In eMetaboHUB/MS-CleanR: Cleans MS Data for Easier Analyses

Compute mass differences between 2 lists of adducts

Description

Compute mass differences between 2 lists of adducts

Usage

compute_massdiff(
  user_adduct_pos = NA,
  user_adduct_neg = NA,
  significance_mass_threshold = NA
)

Arguments

user_adduct_pos, user_adduct_neg	An optional 2-column data.frame containing information about positive adducts or negative adducts (one column for the name and one column for the mass difference with the base compound). If no data.frame is provided, the package default list is used.
significance_mass_threshold	A numeric value indicating at which threshold mass differences are discarded because too small.

Value

A 3-columns data.frame with the pairs of adducts and their mass difference values.

eMetaboHUB/MS-CleanR documentation built on Jan. 3, 2024, 8:55 p.m.