Hi Troels,
Why am I assigned to this bug report? And why is it open? If you are
checking the error values in the text of the Grace file, these will
always change. I've run the
Relax_disp.test_r1rho_kjaergaard_auto_check_graphs system test in your
r1rho_plotting branch but the test always passes. The change at
r24864 (http://article.gmane.org/gmane.science.nmr.relax.scm/22614) is
perfect for solving this problem and is exactly the solution I would
have come up with - check that all header lines are identical and,
then for the data lines, check that the X and Y values are identical
and skip the Y_err values. The test is perfect. Therefore I think
this bug can be closed.
Regards,
Edward
On 30 July 2014 23:21, Troels E. Linnet
<NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
URL:
<http://gna.org/bugs/?22409>
Summary: Minimisation of R1rho model give random results
Project: relax
Submitted by: tlinnet
Submitted on: Wed 30 Jul 2014 09:21:29 PM UTC
Category: relax's source code
Specific analysis category: Relaxation dispersion
Priority: 5 - Normal
Severity: 4 - Important
Status: None
Assigned to: bugman
Originator Name:
Originator Email:
Open/Closed: Open
Release: Repository: trunk
Discussion Lock: Any
Operating System: All systems
_______________________________________________________
Details:
This was discussed in:
http://thread.gmane.org/gmane.science.nmr.relax.devel/6538
Systemtest Relax_disp.test_r1rho_kjaergaard_auto_check_graphs
shows that the error value constantly are changing between each
run of analysis.
This is properly because the number of Monte-Carlo simulation is only set to
3.
This can sometimes happens if the base data are exponential curves, as then
the R2eff errors are determined by Monte Carlo simulations which are random.
And because it is a test the number of simulations are low so the randomness
is quite large.
This randomness will then be propagated into the higher models.
Apart from the unique case of Monte Carlo simulations (or the unit tests for
a
few other functions which use the 'random' Python module), a test
should return the same result to machine precision every single time.
It must be identical.
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Reply to this item at:
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Re: [bug #22409] Minimisation of R1rho model give random results