groupCombine: Combine tailed, isotopic or/and adduct features into the same...

In hcji/KPIC2: Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms

Combine tailed, isotopic or/and adduct features into the same group.

Description

Combine tailed, isotopic or/and adduct features into the same group.

Usage

groupCombine(groups, min_corr = 0.9, type = "tailed", window = 10)

Arguments

groups	The result of PICset.group function.
min_corr	the minimum coefficient between peaks, which are regarded as isotopes or adducts and the base feature.
type	'tailed' for tailed features; 'isotope' for tailed features and isotopic features; or 'all'.
window	the width of RT window.

Value

a LIST of:

peakmat	The peakmat with group index.
picset	The picset.
group.info	The information of each group.

hcji/KPIC2 documentation built on Aug. 23, 2022, 1:42 p.m.