PICset.kmeans: Process a set of sample with 'getPIC.kmeans' method.

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

Process a set of sample with getPIC.kmeans method.

Description

This function is used to process a dataset produced by LC-MS.

Usage

PICset.kmeans(files, level, mztol = 0.1, gap = 3, width = c(5, 60), min_snr = 4, alpha = 0.3, equal = TRUE, export=FALSE, par=TRUE, ...)

Arguments

files	The path of the LC-MS files folder.
level	see getPIC.kmeans
mztol	see getPIC.kmeans
gap	see getPIC.kmeans
width	see getPIC.kmeans
min_snr	see getPIC.kmeans
alpha	see getPIC.kmeans
equal	Whether the retention times of samples are equaled or not. Equalization is need for alignment procedure.
export	Whether to export PICs of each sample as single files
par	Whether to use multi-core calculation
...	see getPIC.kmeans

Value

a LIST of PICs, each element is the result of getPIC.kmeans function.

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