PICset.group: group the features

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

group the features

Description

This function is used to group the features across samples.

Usage

PICset.group(picset, tolerance = c(0.01, 10), weight = c(0.8, 0.2), method = "score", frac = 0.5)

Arguments

picset	The result of PICset.getPeaks function.
tolerance	Maximum allowed absolute m/z and RT difference
weight	The assigned weight for m/z and RT difference at the moment of match score calculation between peaks.
method	Which method is used. can be 'score' or 'dbscan'. 'dbscan' means group features with dbscan clustering method; 'score' means group features with calculated scores.
frac	Minimum fraction of samples necessary in at least one of the sample groups.

Value

a LIST of:

peakmat	The final peakmat of all sample with group id.
picset	The input picset

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