library_writer: Writing the spectral library to an open format

In daniellyz/MergeION2: Merging and Networking Scans from Multiple LC-MS/MS Raw Data Files

Writing the spectral library to an open format

Description

The function writes the output of library_generator into mgf, msp or rdata file.

Usage

library_writer(output_library, con = "output_library.mgf", type = "complete")

Arguments

output_library	List that contains at list 2 elements. sp: List of all extracted spectra. Each spectrum is a data matrix with two columns: m/z and intensity metadata: Data frame containing metadata of extracted scans. PEPMASS and RT are updated based on actually-detected scans. Following five columns are added: FILENAME, MSLEVEL, TIC, MASS_DEV, SCANNUMBER and SCANS
con	Character. Name of the output library, the file extension must be mgf, msp or rdata
type	Character. "Complete" if the entire library is exported. "Consensus" if the consensus library is exported.

Examples

data(DRUG_THERMO_LIBRARY)
library_writer(library2,"library_V2_bis.mgf")

daniellyz/MergeION2 documentation built on Feb. 12, 2025, 11:23 a.m.