calculateFWHM: Calculate FWHM2Base (of a Chromatographic Peak)

In KelseyChetnik/MetaClean: Detection of Low-Quality Peaks in Untargeted Metabolomics Data

Description

Calculates the FWHM2Base of the integrated region of a chromatographic peak. The FWHM2Base is found by determining the peak width at half of the maximum intensity and normalizing this value by the width of the base of the peak.

Usage

calculateFWHM(peakData, pts)

Arguments

peakData	A vector containing characteristic information about a chromatographic peak - including the retention time range
pts	A 2D matrix containing the retention time and intensity values of a chromatographic peak

Details

This function repurposed from TargetedMSQC. Toghi Eshghi, S., Auger, P., & Mathews, W. R. (2018). Quality assessment and interference detection in targeted mass spectrometry data using machine learning. Clinical Proteomics, 15. https://doi.org/10.1186/s12014-018-9209-x

Value

The FWHM2Base value (double)

Examples

# Calculate FWHM2Base for a peak
data(ex_pts)
data(ex_peakData)
fwhm <- calculateFWHM(peakData=ex_peakData, pts=ex_pts)

KelseyChetnik/MetaClean documentation built on May 17, 2021, 5:33 a.m.