Update of bug #19323 (project relax): Assigned to: None => bugman Operating System: GNU/Linux => All systems _______________________________________________________ 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! _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?19323> _______________________________________________ Message sent via/by Gna! http://gna.org/