targetedIonPairing: Targeted Ion Pairing
In IDSL.IPA: Intrinsic Peak Analysis (IPA) for HRMS Data
View source: R/targetedIonPairing.R
targetedIonPairing R Documentation
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
IDSL.IPA documentation built on June 7, 2023, 6:01 p.m.
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View source: R/targetedIonPairing.R
| targetedIonPairing | R Documentation |
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
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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