IDSL.CSA_referenceMSPgenerator: IDSL.CSA Reference MSP Generator

In IDSL.CSA: Composite Spectra Analysis (CSA) for High-Resolution Mass Spectrometry Analyses

IDSL.CSA Reference MSP Generator

Description

This function creates reference standard .msp files.

Usage

IDSL.CSA_referenceMSPgenerator(REF_peaklist, refTable, selectedIPApeaks_IDref, msLevel,
spectral_search_mode = "dda", spectral_search_mode_option = NA)

Arguments

REF_peaklist	A dataframe peaklist of co-detected peaks
refTable	reference CSA table
selectedIPApeaks_IDref	selectedIPApeaks_IDref
msLevel	MS level = c(1, 2)
spectral_search_mode	Type of analysis. spectral_search_mode = c("dda", "dia", "csa")
spectral_search_mode_option	Secondary type of analysis. spectral_search_mode_option = c(NA, "rawddaspectra", "alignedtable")

Value

A string of standard .msp file

IDSL.CSA documentation built on July 9, 2023, 6:09 p.m.