IDSL.CSA_referenceMSPgenerator {IDSL.CSA}

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