RMassBank (version 2.0.0)

findMsMsHRperxcms: Read in mz-files using XCMS

Description

Picks peaks from mz-files and returns the pseudospectra that CAMERA creates with the help of XCMS

Usage

findMsMsHRperxcms(fileName, cpdID, mode = "pH", findPeaksArgs = NULL, plots = FALSE, MSe = FALSE)
findMsMsHRperxcms.direct(fileName, cpdID, mode = "pH", findPeaksArgs = NULL, plots = FALSE, MSe = FALSE)

Arguments

fileName

The path to the mz-file that should be read

cpdID

The compoundID(s) of the compound that has been used for the file

mode

The ionization mode that has been used for the spectrum represented by the peaklist

findPeaksArgs

A list of arguments that will be handed to the xcms-method findPeaks via do.call

plots

A parameter that determines whether the spectra should be plotted or not

MSe

A boolean value that determines whether the spectra were recorded using MSe or not

Value

The spectra generated from XCMS

Functions

• findMsMsHRperxcms.direct: A submethod of findMsMsHrperxcms that retrieves basic spectrum data

See Also

msmsWorkflow toRMB

Examples

## Not run: 
# 		fileList <- list.files(system.file("XCMSinput", package = "RMassBank"), "Glucolesquerellin", full.names=TRUE)[3]
# 	loadList(system.file("XCMSinput/compoundList.csv",package="RMassBank"))
#      psp <- findMsMsHRperxcms(fileList,2184)
# ## End(Not run)