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SVN archive Commit Log


Commit Date  
[r12525] by bugman

Better handling of missing data in the BMRB relaxation saveframes.

2011-02-15 10:48:51 Tree
[r12524] by bugman

The values are now properly scaled and values and errors are inverted to go from Tx to Rx values.

2011-02-15 08:13:40 Tree
[r12523] by bugman

Fixes for pack_data() to allow the errors to be a numpy array.

2011-02-15 08:00:39 Tree
[r12522] by bugman

The relaxation values and errors from the BMRB file are being converted from ms to s now.

2011-02-15 07:55:04 Tree
[r12521] by bugman

Removed a debugging print out.

2011-02-14 18:43:21 Tree
[r12520] by bugman

The optimisation of Monte Carlo simulations no longer changes the Q factors and back calculated data.

There was a bug in which the back calculated RDCs and PCSs, as well as the Q factors were being
calculated for each Monte Carlo simulation but stored in the non-MC sim data structures. Therefore
after MC sims, the Q factor and back calculated data would be that of the last simulation!!!

2011-02-09 12:23:19 Tree
[r12519] by bugman

Added checks showing that Monte Carlo simulations in the N-state model modify the Q factors.

2011-02-09 12:20:35 Tree
[r12518] by bugman

Fix for the calls to RelaxError in the N-state model return_error() method.

2011-02-07 18:07:19 Tree
[r12517] by bugman

Fix for the N-state model error returning method for when errors are not present.

The spin_id variable was not defined.

2011-02-07 18:00:09 Tree
[r12516] by bugman

Fix for the sample label matching - this is only performed if the sample label is given.

2011-02-07 14:17:28 Tree
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