xlsx2msp: xlsx to MSP

In IDSL.FSA: Fragmentation Spectra Analysis (FSA)

xlsx to MSP

Description

This function creates .msp files from an organized spreadsheet of fragmentation data.

Usage

xlsx2msp(path, xlsxFileName = "", number_processing_threads = 1)

Arguments

path	address of the spreadsheet
xlsxFileName	name of the file with the .xlsx extension.
number_processing_threads	Number of processing threads for multi-threaded processing

Value

The .msp files are saved in the same location.

Note

The spreadsheet should have only one column for the following headers (case-sensitive): c('ID', 'mz_fragment', 'int_fragment', 'Name')

Examples

temp_wd <- tempdir() # just a temporary folder
path_extdata <- system.file("extdata", package = "IDSL.FSA")
xlsxFileName <- "PFAS_MSe.xlsx"
file.copy(from = paste0(path_extdata, "/", xlsxFileName), to = temp_wd)
xlsx2msp(temp_wd, xlsxFileName)

IDSL.FSA documentation built on July 9, 2023, 6:45 p.m.