asInclusionlist: asInclusionlist

In mjhelf/METABOseek: Metaboseek platform

asInclusionlist

Description

Reformats a feature table into a format that can be imported into MS instruments as inclusion or exclusion lists.

Usage

asInclusionlist(
  parenttable,
  rtwin = 2.5,
  polarity = "Positive",
  instrument = c("QExactive", "QExactive-HF"),
  listType = "inclusion",
  restrictRT = F
)

Arguments

parenttable	feature table as data.frame, with mz and rt columns.
rtwin	retention time window (+/- df$rt) in seconds
polarity	"Positive" or "Negative"
instrument	which instrument is this table for?
listType	"inclusion" or "exclusion"
restrictRT	use retention time column from parenttable and rtwin to restrict retention time in inclusion/exclusion list

Value

A data.frame that, when written to a file, has the expected format for a given instrument

mjhelf/METABOseek documentation built on April 27, 2022, 5:13 p.m.