filter_identification: Filter identifications according to m/z error, RT error, MS...

In jaspershen/metID: Metabolite identification based on MS1 and MS2 spectra

Filter identifications according to m/z error, RT error, MS similarity and total score

Description

Filter identifications according to m/z error, RT error, MS similarity and total score. \lifecyclematuring

Usage

filter_identification(
  object,
  ms1.match.ppm = 25,
  rt.match.tol = 30,
  ms2.match.tol = 0.5,
  total.score.tol = 0.5
)

Arguments

object	A metIdentifyClass object.
ms1.match.ppm	MS1 match ppm.
rt.match.tol	RT match tolerance.
ms2.match.tol	MS2 match (MS2 similarity) tolerance.
total.score.tol	Total score tolerance.

Value

A new metIdentifyClass.

Author(s)

Xiaotao Shen [e-mail]

See Also

The example and demo data of this function can be found https://jaspershen.github.io/metID/articles/metID.html

Examples

data("annotate_result", package = "metID")
annotate_result2 <- filter_identification(annotate_result, rt.match.tol = 5)

jaspershen/metID documentation built on July 31, 2022, 11:31 p.m.