spectra_ion_filter {IDSL.FSA}R Documentation

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


[Package IDSL.FSA version 1.2 Index]