mspPosNegSplitter: MSP Pos/Neg Splitter

In IDSL.FSA: Fragmentation Spectra Analysis (FSA)

MSP Pos/Neg Splitter

Description

This function separates the positive and negative MSP blocks.

Usage

mspPosNegSplitter(path, MSPfile = "", number_processing_threads = 1)

Arguments

path	address of the .msp file.
MSPfile	name of the file with the .msp extension.
number_processing_threads	Number of processing threads for multi-threaded processing

Value

The .msp files are saved in the same location with '_Neg.msp' and '_Pos.msp' extensions.

Examples

temp_wd <- tempdir() # just a temporary folder
path_extdata <- system.file("extdata", package = "IDSL.FSA")
MSPfile <- "Kynurenine_Kynurenic_acid.msp"
file.copy(from = paste0(path_extdata, "/", MSPfile), to = temp_wd)
mspPosNegSplitter(temp_wd, MSPfile)

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