Description Usage Arguments Value Author(s) Examples
This functions detects which samples (after alignment) are missing from every aligned peak group and reanalyses the raw data to verify whether this peak is actually non-existent for this sample
1 2 | PeakFilling(Y.aligned, Y.spec, max.index.shift = 10, window.width = "small",
nCPU = -1)
|
Y.aligned |
Aligned peaks (after the 'PeakAligner' function). |
Y.spec |
The raw NMR spectra in matrix format. |
max.index.shift |
Maximal shift in index between a filled peak and the group it belongs to. |
window.width |
The width of the detection window for the wavelets. Because of the Fourier transform lengths of 512 ( window.width = 'small') of 1024 ( window.width = 'large') are preferable. |
nCPU |
The amount of cpu's to be used for peak detection. If set to '-1' all available cores minus 1 will be used. |
Returns a data frame with aligned peaks and possibly extra peaks obtained from the raw data (these peaks have SNR = NA).
Charlie Beirnaert, charlie.beirnaert@uantwerpen.be
1 2 3 4 5 6 7 | ## Not run:
# This function works on a data frame resulting from the 'PeakAligner' function
# DetectedPeaks <- getWaveletPeaks(X.ppm= PPM.vector, Y=Y.spec, baselineThresh = 10,nCPU = 4)
# Aligned.peaks = PeakAligner = function (Y.peaks = DetectedPeaks)
Filled.Peaks = SpecPeak.filling(Y.aligned = Aligned.peaks, Y.spec = Y)
## End(Not run)
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