calculateRetentionTimeConsistency: Calculate Retention Time Consistency (of a Peak Group)

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

Description

Calculates the Retention Time Consistency of each chromatographic peak in a group of samples. For each sample, the Retention Time Consistency is found by calculating the difference between the time at the center of the sample peak and the mean time of all peak centers normalized by the mean time of all the peak centers.

Usage

calculateRetentionTimeConsistency(peakDataList, ptsList)

Arguments

peakDataList	A list of vectors containing characteristic information about a chromatographic peak - including the retention time range
ptsList	A list of 2D matrices 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 Retention Time Consistency of a Peak Group (double)

Examples

# Calculate Retention Time Consistency for each peak
data(ex_ptsList)
data(ex_peakDataList)
rtc <- calculateRetentionTimeConsistency(peakDataList = ex_peakDataList, ptsList = ex_ptsList)

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