[bug #22554] The distribution of intensity with errors in Monte-Carlo simulations are markedly more narrow than expected. -- August 31, 2014 - 21:03

URL:
  <http://gna.org/bugs/?22554>

                 Summary: The distribution of intensity with errors in
Monte-Carlo simulations are markedly more narrow than expected.
                 Project: relax
            Submitted by: tlinnet
            Submitted on: Sun 31 Aug 2014 07:03:07 PM UTC
                Category: relax's source code
Specific analysis category: Relaxation dispersion
                Priority: 9 - Immediate
                Severity: 4 - Important
                  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:

It seems that relax draw a lot more narrow distribution of Intensity with
errors, than python module "random".
This has an influence on estimated parameter error.

This is a potential huge error in relax.
A possible example of a catastrophic implementation of Monte-Carlo
simulations.

See:
http://thread.gmane.org/gmane.science.nmr.relax.scm/23239
http://thread.gmane.org/gmane.science.nmr.relax.scm/23238

Attached image that show distribution narrowing for Monte-Carlo simulations in
relax.

Also attached 2 images, that show there is perfect correlation for estimation
of errors between boot strapping and from Co-variance matrix.




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File Attachments:


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Date: Sun 31 Aug 2014 07:03:07 PM UTC  Name:
estimate_errors_analyse_relax.py.png  Size: 47kB   By: tlinnet

<http://gna.org/bugs/download.php?file_id=21975>
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Date: Sun 31 Aug 2014 07:03:07 PM UTC  Name: estimate_errors_data_nt5.png 
Size: 73kB   By: tlinnet

<http://gna.org/bugs/download.php?file_id=21976>
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Date: Sun 31 Aug 2014 07:03:07 PM UTC  Name: estimate_errors_data_nt10.png 
Size: 74kB   By: tlinnet

<http://gna.org/bugs/download.php?file_id=21977>

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