Spectral data binning

Spectral data binning

binin(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.

See also

Other Data_Manipulation: flip()

Author

Torben Kimhofer torben.kimhofer@murdoch.edu.au

Examples

data(X, ppm)
Xb <- binin(X, ppm, width = 0.01)