determiningSizePeak.Geom {proFIA} | R Documentation |
Determine a first approximation of the injection peak using the
Douglas-Peuker Algorithm provided in the rgeos
package.
The object provided must be an xcmsRaw object.
determiningSizePeak.Geom( xraw, scanmin = 1, scanmax = length(xraw@scantime), freq = 0.15, graphical = FALSE, smooth = TRUE, extended = FALSE, percentSol = NULL )
xraw |
An xcmsRaw object as returned by |
scanmin |
The minimum scan to consider for peak detection. |
scanmax |
the maximum scan to consider. injection peak detection. |
freq |
The degrees of smoothing used on the TIC, corresponding to the cutting frequency of the blackman windowed sync filter. |
graphical |
should the resulting peak be plotted. |
smooth |
Should the TIC be smoothed, recommended. |
extended |
In case of very long tailing, shloud the research be extended. |
percentSol |
If extended is TRUE, the limiting level of solvent for |
A triplet composed of c(left limit,right limit, maximum) of the estimated injection peak.
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 a first approximation of injection peak; sp <- determiningSizePeak.Geom(xraw) }