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