relax SVN archive

Merged revisions 21580 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r21580 | bugman | 2013-11-21 16:14:54 +0100 (Thu, 21 Nov 2013) | 3 lines

The Grace plotting (via lib.software.grace) now fully supports the plotting of multiple graphs.
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The Grace plotting (via lib.software.grace) now fully supports the plotting of multiple graphs.

Merged revisions 21578 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

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r21578 | bugman | 2013-11-21 15:07:21 +0100 (Thu, 21 Nov 2013) | 6 lines

Improved Grace graph scaling and arrangement when multiple graphs are present.

The lib.software.grace.write_xy_data() function now executes the 'autoscale' command for each graph
and executes the 'arrange' to layout the graphs automatically.
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Improved Grace graph scaling and arrangement when multiple graphs are present.

The lib.software.grace.write_xy_data() function now executes the 'autoscale' command for each graph
and executes the 'arrange' to layout the graphs automatically.

Clean ups and speed ups of the 1H MMQ flag calls.

Created a script to compare the cpmg_fit and relax solutions for the 'MMQ 2-site' dispersion model.

Bug fix for the dispersion calculate user function (introduced at r21573).

Some bug fixes for the previous commit (r21573).

The relaxation dispersion calculate user function now stores the back calculated R2eff values.

A number of changes were required for this. The code from the end of the Disp_result_command.run()
method was converted to the function specific_analyses.relax_disp.disp_data.pack_back_calc_r2eff().
This allows the back calculation R2eff unpacking code to be shared. The new has_proton_mmq_cpmg()
function has also been created to simplify the code.

Bug fix for the multiple quantum relaxation dispersion models.

These require both the heteronuclear and proton chemical shift differences. But the proton
difference was being scaled by the heteronuclear Larmor frequency and not the proton frequency.