do_groupPEAKS: Group peaks of a single LC-MS spectrum using EIC correlation

Description Usage Arguments Value

View source: R/functions-groupPEAKS_helpers.R

Description

Function builds peak-groups of co-eluting peaks that are correlated to each other in a single LC-MS spectrum.

Usage

1
do_groupPEAKS(pks, eic, out_dir, fname, thr, return = FALSE)

Arguments

pks

DataFrame containing the peak table, created by pickPEAKS function.

eic

list containing extracted ion chromatograms for each peak in the pks table.

out_dir

character specifying directory where output data will be saved.

fname

character specifying LC-MS filename.

thr

numeric defining Pearson correlation coefficient threshold, above which peak pairs will be considered as correlated.

return

logical whether to return the obtained peak-group table. Set to TRUE if working with function interactivily.

Value

Function returns an updated peak table. Column "peakgr" contains peak-group ID for each peak. Peaks not correlated to any of its co-eluting peaks are removed from the table. Function also writes updated peak table in the specified directory.


lauzikaite/massFlowR documentation built on April 29, 2020, 9:45 a.m.