screenProfiles: Screen for suspect masses in a profile container.

Description Usage Arguments Details

View source: R/screen.R

Description

Simple screening looking for suspect exact masses in enviMass profiles.

Usage

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screenProfiles(profiles, suspects, polarity = "+",
  ppmLimit = getOption("RMassScreening")$screenProfiles$ppmLimit)

Arguments

profiles

a profiles container

suspects

A data frame that must contain a "mass" column. Additionally a "name" column is useful (though not formally required)

polarity

"+" or "-", determining what mass to look for

ppmLimit

Maximal ppm deviation from target mass

Details

Could be improved.


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