FeihnMatch: Takes a metabolite info table from the ConsensusAlign output...

In rramaker/CooperR2DGC: Multiple peak alignment for untargeted 2D-GCMS metabolomics analysis (Cooper Lab specific)

Description

Takes a metabolite info table from the ConsensusAlign output and annotates with the Feihn library

Usage

FeihnMatch(PeakInfoTable, FeihnLibrary, numCores = 4, commonIons = c(),
  RT1_Standards = NULL, RT1Penalty = 1)

Arguments

PeakInfoTable	Metabolite info table (the second data frame in the output from ConsensusAlign)
FeihnLibrary	Provide Feihn library generated from MakeReference function to ID metabolites with retention index. (Use data(FeihnStandards_030617) to find)
numCores	Number of cores used to parallelize alignment. See parallel package. Defaults to 4.
commonIons	Provide a vector of ions to ignore from the FindProblemIons function. Defaults to empty vector.
RT1_Standards	Vector of standard names used to adjust first retention time. All names must be found in input files. Defaults to NULL.
RT1Penalty	Penalty used for first retention time errors. Defaults to 1.

Value

A new metabolite info file with three columns appended to that are the top three Feihn library matches

rramaker/CooperR2DGC documentation built on May 28, 2019, 3:30 a.m.