convert example: bruker2pipe_3d
This example shows how to use nmrglue to convert a 3D Bruker data set into a NMRPipe file.
The data used in this example is available for download.
#! /usr/bin/env python
import nmrglue as ng
# read in the Bruker data
dic, data = ng.bruker.read("bruker_3d")
#dic, data = ng.bruker.read_lowmem("bruker_3d")
# Set the spectral parameters
udic = ng.bruker.guess_udic(dic, data)
# Direct Dimension
udic[2]['size'] = 768
udic[2]['complex'] = True
udic[2]['encoding'] = 'direct'
udic[2]['sw'] = 11061.947
udic[2]['obs'] = 800.134
udic[2]['car'] = 4.784 * 800.134
udic[2]['label'] = '1H'
# First indirect dimension
udic[1]['size'] = 128
udic[1]['complex'] = True
udic[1]['encoding'] = 'states'
udic[1]['sw'] = 2500.000
udic[1]['obs'] = 81.086
udic[1]['car'] = 119.787 * 81.086
udic[1]['label'] = '15N'
# Second indirect dimension
udic[0]['size'] = 116
udic[0]['complex'] = True
udic[0]['encoding'] = 'states'
udic[0]['sw'] = 5555.556
udic[0]['obs'] = 201.204
udic[0]['car'] = 55.743 * 201.204
udic[0]['label'] = '13C'
# create the converter object and initilize with Bruker data
C = ng.convert.converter()
C.from_bruker(dic, data, udic)
# create NMRPipe data and then write it out
ng.pipe.write("./data/3d_pipe%03d.fid", *C.to_pipe(), overwrite=True)