initialize-purityD-method: Constructor for S4 class to represent a DI-MS purityD

In computational-metabolomics/msPurity: Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics

Constructor for S4 class to represent a DI-MS purityD

Description

The class used to predict purity from an DI-MS dataset.

Usage

## S4 method for signature 'purityD'
initialize(.Object, fileList, cores = 1, mzML = TRUE, mzRback = "pwiz")

Arguments

.Object	object; purityD object
fileList	data.frame; created using GetFiles, data.frame with filepaths and sample class information
cores	numeric; Number of cores used to perform Hierarchical clustering WARNING: memory intensive, default 1
mzML	boolean; TRUE if mzML to be used FALSE if .csv file to be used
mzRback	character; backend to use for mzR parsing

Value

purityD object

Examples

datapth <- system.file("extdata", "dims", "mzML", package="msPurityData")
inDF <- Getfiles(datapth, pattern=".mzML", check = FALSE, cStrt = FALSE)
ppDIMS <- purityD(fileList=inDF, cores=1, mzML=TRUE)

computational-metabolomics/msPurity documentation built on Sept. 8, 2023, 8:04 p.m.