PeakFilling: Peak filling of any missed peaks

Description Usage Arguments Value Author(s) Examples

View source: R/PeakFilling.R

Description

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

Usage

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PeakFilling(Y.aligned, Y.spec, max.index.shift = 10, window.width = "small",
  nCPU = -1)

Arguments

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.

Value

Returns a data frame with aligned peaks and possibly extra peaks obtained from the raw data (these peaks have SNR = NA).

Author(s)

Charlie Beirnaert, charlie.beirnaert@uantwerpen.be

Examples

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## 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)

speaq2 documentation built on May 6, 2017, 4:09 a.m.

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