CSA_alignedMetaSpectraCataloger {IDSL.CSA}

CSA Aligned Meta-Spectra Cataloger

Description

This function generates integrated and most abundant aligned spectra from the aligned spectra

Usage

CSA_alignedMetaSpectraCataloger(address_input_msp, peakXcol, peak_height,
CSA_aligned_property_table, groupedID, minTanimotoCoefficient = 0.5,
number_processing_threads = 1)

Arguments

address_input_msp

address of the .msp files generated via IDSL.IPA DIA grouping

peakXcol

aligned indexed peak table

peak_height

aligned peak height table

CSA_aligned_property_table

a matrix of three columns of "IPA detection frequency", "median_height", and "median_R13C" for the aligned peak table

groupedID

A 2-column dataframe of 'Co-detectedIDs' and 'TanimotoCoefficients' from the 'CSA_alignedPeaksTanimotoCoefficientCalculator' module

minTanimotoCoefficient

minimum Tanimoto coefficient

number_processing_threads

Number of processing threads for multi-threaded processing

Value

A list of two objects for 'MSP_integrated_aligned_spectra' and 'MSP_most_abundant_aligned_spectra'