spectra_ion_filter: Spectra Ion Filter

In IDSL.FSA: Fragmentation Spectra Analysis (FSA)

Spectra Ion Filter

Description

This function can detect m/z peaks that are related to each other across selected spectra lists.

Usage

spectra_ion_filter(spectraList, indexSpectraList = length(spectraList), massError,
minPercentageDetectedScans = 10, rsdCutoff = 0, pearsonRHOthreshold = NA)

Arguments

spectraList	a list of matrices of m/z and intensity values for each chromatogram scan
indexSpectraList	a vector of spectra indices for the analysis. This vector should have at least 3 elements to run this function.
massError	required mass error for m/z values
rsdCutoff	Relative standard deviations (in percent) to remove constant peaks (usually noisy peaks)
minPercentageDetectedScans	Minimum percentage of detected scans for an m/z peak
pearsonRHOthreshold	A threshold for pairwise Pearson's correlation coefficient across the selected spectra lists. This feature is recommended to find co-occurring peaks within a chromatographic peak. This feature may be used to eliminate instrument noises from MS2 data channels within an MS1 chromatographic peak for DDA analysis.

Value

A matrix of m/z and cumulated intensities across the 'indexSpectraList' spectra

IDSL.FSA documentation built on July 9, 2023, 6:45 p.m.