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, <tlin...@nmr-relax.com> 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 > relax-comm...@gna.org > > 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 relax-devel@gna.org 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
