Description Usage Arguments Value Examples
Determine an injection peak as an exponential modified gaussian function and a second order exponential corresponding to matrix effect to the most intense signals in an acquisition.
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xraw |
An xcmsRaw object as returned by |
bandlist |
A list of bands which can be used. Shall stay NULL in general use. bands will be determined automatically. |
sec |
A tolerance in sec to group the signals. |
iquant |
The maximum intensity intensity threshold under which the peaks would not be used for peak determination. |
gpeak |
An approximation of the injection peak, if NULL determining sizepeak.Geom will be used. |
selIndex |
A seleciton of index to make the regression. We recommend to let it to NULL. |
scanmin |
The first scan to consider for regression. |
scanmax |
The last scan to consider for regression. |
refinement |
Should the starting point of the regression be refined using the selected EICs. |
graphical |
shald the individually fitted components be plotted. |
A vector contaning the injection peak
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 | if(require(plasFIA)){
#Getting the path of a file.
path_raw <- list.files(system.file(package="plasFIA","mzML"),full.names=TRUE)[2]
#Opening the file with xcms
xraw <- xcmsRaw(path_raw)
#Getting the injection scan
gp <- determiningInjectionZone(xraw)
#performing band detection.
tbands <- findBandsFIA(xraw,ppm = 2,sizeMin = gp[3]-gp[1],beginning=gp[1],end=gp[2])
#Getting the injection peak
vpeak <- getInjectionPeak(xraw,bandlist=tbands,gpeak=gp)
plot(vpeak,type="l")
}
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