nmrglue.fileio.simpson.read

nmrglue.fileio.simpson.read(filename, ftype=None, ndim=None, NP=None, NI=None, spe=None)

Read a SIMPSON file.

Read a NMR data file saved using in a number of formats produced using the SIMPSON simulation program.

Parameters :

filename : str

Name of SIMPSON file to read data from.

ftype : {None, ‘TEXT’, ‘BINARY’, ‘XREIM’, ‘XYREIM’, ‘RAWBIN’}, optional

A string indicating the type of SIMPSON file:

TEXT : SIMPSON text format, no fsave arguments.

BINARY : SIMPSON binary format, -binary fsave argument.

XREIM : Indexed 1D format, rows of frequency/time, real and imaginary parts of the data. Saved with -xreim argument.

XYREIM : Indexed 2D format, rows of frequency/time (indirect dimension then direct dimension), real and imaginary parts of the data. Saved with -xyreim argument.

RAWBIN : Raw binary format. Saved with -raw_bin argument. ndim and spe must also be provided. In addition if ndim is 2, NP and NI must be defined.

None : Automatically determine file type. If this fails the file type should be implicitly provided.

Other formats of files may be created by SIMPSON, but are not currently supported.

Returns :

dic : dict

Dictionary of spectra parameters. For some file formats this may be empty.

data : ndarray

Complex array of spectral data.

Other Parameters:  

ndim : {None, 1, 2}, optional

Dimensionality of the data in the file, only used when ftype is “RAWBIN”.

NP : int, optional

Number of points {R|I} in the direct dimension. Only used when ftype is “RAWBIN” and ndim is 2.

NI : int, optional

Number of points in the indirect dimension. Only used when ftype is “RAWBIN” and ndim is 2.

spe : bool, optional

True when the data is in the frequency domain, False for time domain data. Only used when ftype is “RAWBIN”