fillPeaks.EIBPC: identify missing peaks

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

identify missing peaks

Description

For each sample, identify missing peaks resulting from peak detection or other steps. The EIBPC is used to achieve this aim.

Usage

fillPeaks.EIBPC(groups, extand_mz=20, extand_rt=5, min_snr=3, std='maxo')

Arguments

groups	The result of getDataMatrix function
extand_mz	PPM of m/z tolerance of filled peaks.
extand_rt	Retention time tolerance of filled peaks.
min_snr	The minimum SNR of peaks, which may be smaller than that of getPIC function
std	The standard for quantification, only 'maxo' is supported now.

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