mail[bug #19323] Diffusion tensor orientation


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Posted by Edward d Auvergne on January 24, 2012 - 09:56:

Update of bug #19323 (project relax):

             Assigned to:                    None => bugman                 
        Operating System:               GNU/Linux => All systems            

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Follow-up Comment #1:

The first thing I noticed was the CSA value, I would recommend using the
average value of -172 ppm.  You can avoid certain optimisation issues by using
such a value.  Secondly, the following is sufficient to show the problem:

pipe.create('test', 'mf')
diffusion_tensor.init((9.13543628021508e-09, 0.46753478209358545,
2.716321297225648, 1.6205127689082335), param_types=2, spheroid_type='oblate',
fixed=True)
results.write('test', dir=None)

Now to work out why the theta and phi angles change!

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