calculateTPASR: Calcualte Triangle Peak Area Similarity Ratio (TPASR) (of a...

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

Description

Calculates the Triangle Peak Area Similarity Ratio (TPASR) of the integrated region of a chromatographic peak. The TPASR is found by calculating the ratio of the difference between the area of a triangle formed by the apex and the two peak boundaries and the integrated area of the peak over the area of the triangle.

Usage

calculateTPASR(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 Zhang et al. For details, see Zhang, W., & Zhao, P. X. (2014). Quality evaluation of extracted ion chromatograms and chromatographic peaks in liquid chromatography/mass spectrometry-based metabolomics data. BMC Bioinformatics, 15(Suppl 11), S5. https://doi.org/10.1186/1471-2105-15-S11-S5

Value

The TPASR value (double)

Examples

# Calculate TPASR for a peak
data(ex_pts)
data(ex_peakData)
tpasr <- calculateTPASR(peakData = ex_peakData, pts = ex_pts)

MetaClean documentation built on Jan. 13, 2021, 6:30 p.m.