calculateApexMaxBoundaryRatio: Calculate Apex-Max Boundary Ratio (of a Chromatographic Peak)

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

Description

Calculates the Apex-Max Boundary Ratio of the integrated region of a chromatographic peak. The Apex-Max Boundary Ratio is found by taking the ratio of the intensity of the peak apex over the intensity of the maximum of the two boundary intensities.

Usage

calculateApexMaxBoundaryRatio(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 apex-max boundary ratio (double)

Examples

# Calculate Apex Max-Boundary Ratio for a peak
data(ex_pts)
data(ex_peakData)
apexMaxBoundary <- calculateApexMaxBoundaryRatio(peakData = ex_peakData, pts = ex_pts)

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