Hi Edward. I had some thoughts about naming this parameter.
I wanted to have it possible to clearly distinguish this parameter. When producing .out files, and filenames. And also in the general code, I think it is more clear that this parameter is fitted. We can discuss this later, when you have finished reading the changes. Best Troels 2014-08-18 10:03 GMT+02:00 Edward d'Auvergne <[email protected]>: > Hi Troels, > > Here the "_fit" part of the variable "r1_fit" is not needed. If there > is a R1 parameter in the model, then it is optimised. If it is not a > model parameter, then it will be fixed and the currently set value > used. The description "The fitted longitudinal relaxation rate" > should also be changed to "The longitudinal relaxation rate". In > reality, this parameter will apply to both the fitted value and the > fixed value. There may be bizarre cases of relax users wanting to use > a mix of both fixed and fitted R1 values, for example if R1 was > measured but some values are not reliable or if R1 optimisation is > skipped for spins that are on-resonance. Therefore "r1_fit" should be > generalised to just "r1". > > Cheers, > > Edward > > On 4 August 2014 16:27, <[email protected]> wrote: >> Author: tlinnet >> Date: Mon Aug 4 16:27:28 2014 >> New Revision: 24921 >> >> URL: http://svn.gna.org/viewcvs/relax?rev=24921&view=rev >> Log: >> Added "r1_fit" as a parameter object. >> >> sr #3135(https://gna.org/support/?3135): Optimisation of the R1 relaxation >> rate for the off-resonance R1rho relaxation dispersion models. >> >> Modified: >> branches/R1_fitting/specific_analyses/relax_disp/parameter_object.py >> >> Modified: >> branches/R1_fitting/specific_analyses/relax_disp/parameter_object.py >> URL: >> http://svn.gna.org/viewcvs/relax/branches/R1_fitting/specific_analyses/relax_disp/parameter_object.py?rev=24921&r1=24920&r2=24921&view=diff >> ============================================================================== >> --- branches/R1_fitting/specific_analyses/relax_disp/parameter_object.py >> (original) >> +++ branches/R1_fitting/specific_analyses/relax_disp/parameter_object.py >> Mon Aug 4 16:27:28 2014 >> @@ -198,6 +198,20 @@ >> >> # Add the parameters of all dispersion models. >> self._add( >> + 'r1_fit', >> + scope = 'spin', >> + default = 10.0, >> + desc = 'The fitted longitudinal relaxation rate', >> + py_type = dict, >> + set = 'params', >> + scaling = 10, >> + grid_lower = 0.1, >> + grid_upper = 20.0, >> + grace_string = '\\qR\\s1,fit\\N\\Q (rad.s\\S-1\\N)', >> + err = True, >> + sim = True >> + ) >> + self._add( >> 'r2', >> scope = 'spin', >> default = 10.0, >> >> >> _______________________________________________ >> relax (http://www.nmr-relax.com) >> >> This is the relax-commits 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-commits > > _______________________________________________ > 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 _______________________________________________ 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
