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 <[email protected]> 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. > > > > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/bugs/?22409> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-devel
