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SVN archive Commit Log


Commit Date  
[r21025] by bugman

Updated the spectrum.error_analysis user function backend to use the lib.statistics.std() function.

This simplifies the code. It affects only the peak intensity error analysis when spectra have been
replicated.

2013-10-09 16:00:30 Tree
[r21024] by bugman

Updated the relax script for analysing Remco Sprangers' ClpP data with the 'MQ NS 2-site' model.

The error analysis has been removed as it is identical to what the auto-analysis does.

2013-10-09 15:53:52 Tree
[r21023] by bugman

Fix for the docstring formula in lib.dispersion.two_point.calc_two_point_r2eff_err().

2013-10-09 15:19:18 Tree
[r21022] by bugman

Bug fixes for the averaging of peak intensity errors in the dispersion analysis.

This is in the specific_analysis.relax_disp.disp_data.average_intensity() function.

2013-10-09 15:00:42 Tree
[r21021] by bugman

Modified the dispersion auto-analysis to check if peak intensity errors have been pre-calculated.

This allows the user to perform custom analyses and the auto-analysis will then not overwrite these
values.

2013-10-09 14:48:05 Tree
[r21020] by bugman

Created a relax script for analysing Remco Sprangers' ClpP data with the 'MQ NS 2-site' model.

This currently does not work, as the model is absent.

2013-10-09 14:19:16 Tree
[r21019] by bugman

Concatenated the peak intensity files.

2013-10-09 12:46:25 Tree
[r21018] by bugman

Added Remco Spranger's truncated ClpP data to test_suite/shared_data/dispersion/Spranger_ClpP.

This is the data attached to https://gna.org/task/?7712#comment6, and it will be used for testing
the implementation of the 'MQ NS 2-site' model, when added to relax.

2013-10-08 09:10:31 Tree
[r21017] by bugman

Created a set of scripts for testing out the multi-processor abilities of the dispersion analysis.

2013-10-08 07:15:11 Tree
[r21016] by bugman

Merged revisions 21015 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r21015 | bugman | 2013-10-07 21:54:45 +0200 (Mon, 07 Oct 2013) | 8 lines

Fix for the Monte Carlo simulation parallisation.

The processor.run_queue() method needs to be executed for all the optimisation user function of
relax (at the end of both the grid_search() and the calc() functions). Otherwise when removing the
processor.run_queue() call from the specific_analyses code results in a failure of the grid search
or back-calculation to be run until the minimise() user function call, which will be too late.
........

2013-10-07 19:57:17 Tree
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