Description Usage Arguments Value Author(s) Examples

View source: R/getWaveletPeaks.R

This function converts phase corrected NMR spectra to peak data by using wavelet based peak detection (with the MassSpecWavelet package)

1 2 3 | ```
getWaveletPeaks(Y.spec, X.ppm, sample.labels = NULL, window.width = "small",
window.split = 4, scales = seq(1, 16, 1), baselineThresh = 1000,
SNR.Th = -1, nCPU = -1, include_nearbyPeaks = TRUE)
``` |

`Y.spec` |
The spectra in matrix format. |

`X.ppm` |
The x/ppm values of the spectra (in single vector or matrix format). |

`sample.labels` |
The sample labels (numeric), if not supplied these will simply be the sample numbers. |

`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. |

`window.split` |
A positive, even and whole number indicating in how many parts the sliding window is split up. With every iteration the window slides one part further. |

`scales` |
The scales to be used in the wavelet based peak detection, see peakDetectionCWT. |

`baselineThresh` |
Peaks with a peakValue lower than this threshold will be removed (default = 1000). |

`SNR.Th` |
The Signal-to-noise threshold, see peakDetectionCWT. |

`nCPU` |
The amount of cpu's to be used for peak detection. If set to '-1' all available cores minus 1 will be used. |

`include_nearbyPeaks` |
If set to TRUE small peaks in the tails of larger ones will be included in the peak data, see peakDetectionCWT. |

The peaks detected with the wavelets.

Charlie Beirnaert, charlie.beirnaert@uantwerpen.be

1 2 3 4 5 6 7 8 | ```
## Not run:
# This example takes ca. 50 seconds (with nCPU = 4) on a 2.5GHz machine
data(Winedata)
Y.spec = as.matrix(Winedata$spectra)
PPM.vector = as.numeric(Winedata$ppm)
DetectedPeaks <- getWaveletPeaks(X.ppm= PPM.vector, Y=Y.spec, baselineThresh = 10,nCPU = 4)
## End(Not run)
``` |

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