mail[bug #22008] Interpolation with relax.plot_disp_curves, creates un-even number of CPMG blocks.


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Posted by Troels E. Linnet on May 03, 2014 - 19:57:
URL:
  <http://gna.org/bugs/?22008>

                 Summary: Interpolation with relax.plot_disp_curves, creates
un-even number of CPMG blocks.
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Sat 03 May 2014 05:57:50 PM UTC
                Category: None
Specific analysis category: Relaxation dispersion
                Priority: 5 - Normal
                Severity: 3 - Normal
                  Status: None
             Assigned to: None
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
                 Release: Repository: trunk
         Discussion Lock: Any
        Operating System: All systems

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Details:

When interpolating graphs for CPMG, the interpolated points can equal and odd
number of CPMG blocks.

This is a special case, where B14 is a analytical mode, but uses the power
(Number of CPMG blocks) in its equations. The power has to be even. 

in target_functions.relax_disp.py

that means that self.power has to come out even.

It is constructed like this:
self.power[ei][mi][di] = int(round(self.cpmg_frqs[ei][mi][0][di] *
self.relax_times[ei][mi]))

That means that the choice of cpmg_frqs is not good.

The cpmg_frqs are created in specific_analyses.relax_disp.data.





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