Metabolomics Society Forum

Software => XCMS => R => XCMS - FAQ => Topic started by: Ralf on February 23, 2012, 08:21:06 PM

Title: How to choose centWave's peakwidth parameter ?
Post by: Ralf on February 23, 2012, 08:21:06 PM
The main purpose of the peakwidth parameter is to roughly estimate the peak width range, this parameter is not a threshold.
The wavelets used for peak detection are calculated from this parameter.

If you use HPLC and your peaks are normally 20 - 60 s wide (base peak with), just go with that, i.e. peakwidth=c(20,60)
centWave will still detect peaks that are 15s or 80 s wide!

Important: Do not choose the minimum peak width too small, it will not increase sensitivity, but cause peaks to be split.

Example: peak width ~ 45 s
using peakwidth = c(10,120) the peak will be split in three peaks, each detected as a ~10s wide separate peak (since they are separated by a local minimum) :

[attachment=1:toypq4xs]peakwidth_10_120.png[/attachment:toypq4xs]

using peakwidth = c(20,120) will keep the peak intact :

[attachment=0:toypq4xs]peakwidth_20_120.png[/attachment:toypq4xs]

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