Constructor for S4 class to represent a DI-MS purityD

Description

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

Usage

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## 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

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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)

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