peak_detection2d: Detection of the peaks in an 2D NMR spectra dataset.
In specmine: Metabolomics and Spectral Data Analysis and Mining

This function detects the peaks across samples, reducing the dimensionality of the 2D spectra. If baseline_thresh is not provided it will be calculated a signal-to-noise ratio (SNR) for each spectra that will serve as threshold.

1	peak_detection2d(specmine_2d_dataset, baseline_thresh=NULL, noiseFilt=0, negatives=F)

`specmine_2d_dataset`	List representing a 2D dataset from a 2D metabolomics experiment.
`baseline_thresh`	Minimum intensity value that peaks must have. Peaks with intensity smaller than `baseline_thresh` will not be considered as detected peaks.
`noiseFilt`	Integer argument that applies a noise filter when searching for peaks. Can be one of the following: 0 Does not apply a noise filter. 1 Applies a mild filter (adjacent points in the direct dimension must be above the noise threshold). 2 Applies a strong filter (all adjacent points must be above the noise threshold). Defaults to 0.
`negatives`	Boolean value that decides if negative ppm values should be considered or not. Default to FALSE.

Returns a 1D specmine dataset where the rows are combinations of ppms (indirect dimension x direct dimension) and the columns are the samples. The combinations of ppms represent peaks detected.

specmine documentation built on Sept. 21, 2021, 5:06 p.m.