Re: r25218 - /trunk/target_functions/relax_disp.py -- August 22, 2014 - 16:15

Hmmm, I'm now starting to wonder if some of the T_relax values in the
model equations should not be tau_CPMG :S

Regards,

Edward



On 22 August 2014 15:24, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
> Well, because you propagate by the length of the relaxation time
> (exponentially) and then multiply the log of this by inv_relax_time at
> the end, they should cancel.  So my opinion in these numeric models is
> that as long as the relaxation time is not zero or does not cause the
> magnitisation vector to go to zero (i.e. the time is too too big),
> then absolutely any random time could be used.  I just randomly picked
> 2 here as that would still result in a reasonable number.  But you
> could try setting the relaxation time to a fixed value of 0.1, and I
> would assume that R2eff values will be correctly predicted.  If not,
> then there might be a bug somewhere in
> lib/dispersion/ns_r1rho_2site.py.
>
> Regards,
>
> Edward
>
>
>
> On 22 August 2014 15:14, Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx> 
> wrote:
> > Ehh.
> >
> > Say again?
> >
> > Why 2.0 ?
> >
> > 2014-08-22 15:01 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
> > > Hi Troels,
> > >
> > > For sanity reasons, what happens if you divide the maximum relax_time
> > > by 2.0?  Do you see exactly the same result as would be expected?
> > >
> > > Regards,
> > >
> > > Edward
> > >
> > >
> > > On 22 August 2014 14:53,  <tlinnet@xxxxxxxxxxxxx> wrote:
> > > > Author: tlinnet
> > > > Date: Fri Aug 22 14:53:25 2014
> > > > New Revision: 25218
> > > >
> > > > URL: http://svn.gna.org/viewcvs/relax?rev=25218&view=rev
> > > > Log:
> > > > Fix for time not extracted for CPMG experiments in target_function-
> > > >
> > > > bug #22461(https://gna.org/bugs/?22461): NS R1rho 2-site_fit_r1 has 
> > > > extremely high chi2 value in systemtest 
> > > > Relax_disp.test_r1rho_kjaergaard_missing_r1.
> > > >
> > > > Modified:
> > > >     trunk/target_functions/relax_disp.py
> > > >
> > > > Modified: trunk/target_functions/relax_disp.py
> > > > URL: 
> > > > http://svn.gna.org/viewcvs/relax/trunk/target_functions/relax_disp.py?rev=25218&r1=25217&r2=25218&view=diff
> > > > ==============================================================================
> > > > --- trunk/target_functions/relax_disp.py        (original)
> > > > +++ trunk/target_functions/relax_disp.py        Fri Aug 22 14:53:25 2014
> > > > @@ -325,6 +325,8 @@
> > > >                                  cpmg_frq = cpmg_frqs[ei][mi][oi][di]
> > > >
> > > >                                  # Missing data for an entire field 
> > > > strength.
> > > > +                                relax_time = 
> > > > max(relax_times[ei][mi][oi][di])
> > > > +
> > > >                                  if isNaN(relax_time):
> > > >                                      power = 0
> > > >
> > > >
> > > >
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