msn2xcms: Helper function to create a normal xcmsRaw from MSn data

In sneumann/MetShot: High throughput prioritized acquisition and processing of tandem mass spectra

Description

Helper function to create a normal xcmsRaw from MSn data. Copy xrawMSn@env$msnmz and xrawMSn@env$msnintensities and all metadata from xrawMSn to xraw.

Usage

msn2xcms(xmsn)

Arguments

xmsn

Value

An xcmsRaw object, where the converted MSn data appears as normal MS1 data. This can be passed to findPeaks().

Examples

##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
function(xmsn) {
    x <- xmsn
                                        # BROKEN
    x@tic <- x@msnAcquisitionNum
                                        # Fake time in secs
    x@scantime <- x@msnRt
    x@acquisitionNum <- x@msnAcquisitionNum
    x@scanindex <- x@msnScanindex

    x@env$mz <- x@env$msnMz
    x@env$intensity <- x@env$msnIntensity
    invisible(x)
  }

sneumann/MetShot documentation built on May 30, 2019, 5:05 a.m.