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.
#! /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 = ng.varian.read('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)