analyteRetentionTimeCorrector {IDSL.IPA}

analyte retention time corrector

Description

This function calculates corrected retention times for the peaklists.

Usage

analyteRetentionTimeCorrector(referenceMZRTpeaks, inputPathPeaklist, peaklistFileName,
massAccuracy, RTcorrectionMethod, refPeakTolerance = 1, degreePolynomial = 3)

Arguments

referenceMZRTpeaks

a matrix of reference peaks for retention time correction.

inputPathPeaklist

input path to peaklist

peaklistFileName

file name peaklist

massAccuracy

mass error to detect common reference peaks.

RTcorrectionMethod

c('RetentionIndex','Polynomial')

refPeakTolerance

number of reference peaks for retention time correction using the 'RetentionIndex' method.

degreePolynomial

polynomial degree for retention time correction using the 'Polynomial' method.

Value

a list of corrected retention times for each peaklist.