Spectral data binning

binning(X, ppm, width = NULL, npoints = NULL)

Arguments

X	num matrix, NMR data with spectra in rows
ppm	num array, chemical shift positions, length matches to columns in X
width	num, bin size in ppm or NULL in case `npoints` is specified
npoints	num, desired number of bins per spectrum or NULL in case `width` is specified

Value

Numeric matrix with spectra in rows and chemical shift variables in columns.

Details

#' Equidistant binning of spectra. Specify either width or npoints argument - if both are provided, npoints is used. Input argument ppm can be omitted if chemical shift information is encoded in the column names of the NMR matrix X.

Author

Torben Kimhofer torben.kimhofer@murdoch.edu.au