[bug #24675] superfluous dispersion curves for missing data -- May 17, 2016 - 12:25

URL:
  <http://gna.org/bugs/?24675>

                 Summary: superfluous dispersion curves for missing data
                 Project: relax
            Submitted by: padrta
            Submitted on: Tue 17 May 2016 10:25:10 AM UTC
                Category: relax's source code
Specific analysis category: Relaxation dispersion
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: 4.0.2
         Discussion Lock: Any
        Operating System: All systems

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Details:

This is direct follow-up of bug #24601. The missing data are now handled
correctly but the resulting grace plots for individual models (LM63, CR72...)
still contain interpolated dispersion curves for missing data. These curves
have no experimental points and their placement along y-axis (R2eff) is
generally incorrect as their r20 is unknown. r20s for missing data sometimes
end up at their upper bound (200 rad/s) but I think it's more correct to force
them to 0 rad/s or better exclude them from the analysis, if possible.

Included minimal script and data are the same as for 
bug #24601.



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File Attachments:


-------------------------------------------------------
Date: Tue 17 May 2016 10:25:11 AM UTC  Name: relax_test.zip  Size: 18kB   By:
padrta

<http://gna.org/bugs/download.php?file_id=27407>

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