AutoLockMass-methods: Automatic parameter for Lock mass fixing 'AutoLockMass' ~~

In sneumann/xcms: LC-MS and GC-MS Data Analysis

Automatic parameter for Lock mass fixing AutoLockMass ~~

Description

AutoLockMass - This function decides where the lock mass scans are in the xcmsRaw object. This is done by using the scan time differences.

Arguments

object

An xcmsRaw-class object

Value

AutoLockMass A numeric vector of scan locations corresponding to lock Mass scans

Methods

object = "xcmsRaw"

signature(object = "xcmsRaw")

Author(s)

Paul Benton, [e-mail]

Examples

## Not run: library(xcms)
    library(faahKO)
    ## These files do not have this problem
    ## to correct for but just for an example
    cdfpath <- system.file("cdf", package = "faahKO")
    cdffiles <- list.files(cdfpath, recursive = TRUE, full.names = TRUE)
    xr<-xcmsRaw(cdffiles[1])
    xr
    ##Lets assume that the lockmass starts at 1 and is every 100 scans
    lockMass<-xcms:::makeacqNum(xr, freq=100, start=1)
    ## these are equalvent
    lockmass2<-AutoLockMass(xr)
    all((lockmass == lockmass2) == TRUE)

    ob<-stitch(xr, lockMass)

## End(Not run)

sneumann/xcms documentation built on Nov. 3, 2024, 10:33 p.m.