targetedIonPairing {IDSL.IPA}

Targeted Ion Pairing

Description

This module only pairs 'mzTarget' values across 'scanNumberStart' through 'scanNumberEnd' scan numbers.

Usage

targetedIonPairing(spectraList, scanNumberStart, scanNumberEnd, mzTarget,
massAccuracy, ionMassDifference = 1.003354835336, massAccuracyIonPair = massAccuracy*1.5)

Arguments

spectraList

spectraList which is a list of mass spectra

scanNumberStart

the first scan number.

scanNumberEnd

the last scan number.

mzTarget

m/z value to perform chromatography analysis

massAccuracy

mass accuracy to select the dominant ion

ionMassDifference

mass difference to pair ions. (Default = DeltaC = 13C - 12C = 1.003354835336), or DeltaS = 34S - 32S = 1.9957958356, or any numerical value.

massAccuracyIonPair

mass accuracy to select the second ion

Value

A targeted ion paired spectra and their scan numbers