relax SVN archive

Merged revisions 19494 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19494 | bugman | 2013-04-19 19:52:10 +0200 (Fri, 19 Apr 2013) | 7 lines

Shifted the standard deviation code from the Monte Carlo error_analysis() function to the lib package.

The new function lib.stats.std() is now used to simplify the error_analysis() function and allow the
code to be reused. This will be useful for expanding the pipe_control.monte_carlo.error_analysis()
function to handle parameters which are dictionaries, for example as in the relax_disp branch.
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Shifted the standard deviation code from the Monte Carlo error_analysis() function to the lib package.

The new function lib.stats.std() is now used to simplify the error_analysis() function and allow the
code to be reused. This will be useful for expanding the pipe_control.monte_carlo.error_analysis()
function to handle parameters which are dictionaries, for example as in the relax_disp branch.

The relaxation dispersion auto-analysis is now created plots of the exponential curves.

Created the relax_disp.plot_exp_curves user function.

This is to be used to create 2D graphs of the exponential curves (relaxation time verses peak
intensity) as the grace.write user function plots are not very nice - the curves from each
spectrometer field strength and dispersion point are mixed into one curve.

Started to redesign how R2eff is handled in the relaxation dispersion analysis.

Instead of being part of the optimisation of the dispersion model, it will itself be the model named
'R2eff' (converted from the 'exp_fit' model). This model will either use the calc user function to
determine R2eff when the fixed relaxation period experiment is selected, or fit exponential curves
using the relax_fit C module for the variable relaxation period experiments. The R2eff values will
then be copied over for each dispersion model in the auto-analysis using the value.copy user
function.

Merged revisions 19488-19489 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r19488 | bugman | 2013-04-17 23:00:53 +0200 (Wed, 17 Apr 2013) | 6 lines

Fix for the spectrum.error_analysis user function for replicated spectra and subsets.

A second call to spectrum.error_analysis was removing the results from the first call. This is now
avoided.
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r19489 | bugman | 2013-04-17 23:01:45 +0200 (Wed, 17 Apr 2013) | 3 lines

Created the lib.list.unique_elements() function for returning a list with duplicates removed.
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Created the lib.list.unique_elements() function for returning a list with duplicates removed.

Fix for the spectrum.error_analysis user function for replicated spectra and subsets.

A second call to spectrum.error_analysis was removing the results from the first call. This is now
avoided.

Fixes for the renaming of the relaxation dispersion test suite shared data directory.

Combined all the system test scripts of Flemming Hansen's fixed time period CPMG data.

For details of this data, see http://thread.gmane.org/gmane.science.nmr.relax.devel/3790/focus=3827.