separate example: separate_2d_varianΒΆ

This example shows how to use nmrglue to separate Agilent/Varian data collected with an innermost parameter interleaved. The full experimental data in the arrayed_data.dir directory is unpacked into a series of directories with names tXmix_*.fid which can be converted with nmrglue or NMRPipe. The name and values of the interleaved parameter is determined from the procpar file in the arrayed_data.dir directory.

The data used in this example is available for download.

[source code]

#! /usr/bin/env python
# Unarray 2D Agilent/Varian data creating directories based on array parameter 
# found in procpar file.

import nmrglue as ng

# read in the NMR data 
dic, data ='arrayed_data.dir')

# set the new size of the separated data
dic['nblocks'] = data.shape[0]

arrayed_param = dic['procpar']['array']['values'][0]

# loop over the echo times, separating and saving each 2D
for i, array_val in enumerate(dic['procpar'][arrayed_param]['values']):
    dir_name = arrayed_param + '_' + array_val + '.fid'
    print "Creating directory:", dir_name
    ng.varian.write(dir_name, dic, data[:, i, :], overwrite=True)