Hi Ed, I am not so familiar with scaling in minimization...
How can I determine if a given parameter would benefit from scaling ? Is only speed affected when scaling is used ? Thanks ! Séb [email protected] wrote: > Author: semor > Date: Tue Jan 13 04:24:37 2009 > New Revision: 8429 > > URL: http://svn.gna.org/viewcvs/relax?rev=8429&view=rev > Log: > Started to implement the scaling matrix for scaling the 'R2eff' values. > > This might change in the future as other possible curve fitting parameters > ('R2', 'Rex', 'kex', > 'R2A', 'kA', 'dw') might need some scaling. > > > Modified: > branches/relax_disp/specific_fns/relax_disp.py > > Modified: branches/relax_disp/specific_fns/relax_disp.py > URL: > http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8429&r1=8428&r2=8429&view=diff > ============================================================================== > --- branches/relax_disp/specific_fns/relax_disp.py (original) > +++ branches/relax_disp/specific_fns/relax_disp.py Tue Jan 13 04:24:37 2009 > @@ -143,17 +143,17 @@ > > # Loop over the parameters. > for i in xrange(len(spin.params)): > - # Relaxation rate. > - if spin.params[i] == 'Rx': > - pass > - > - # Intensity scaling. > elif search('^i', spin.params[i]): > + # Effective transversal relaxation rate scaling. > + if spin.params[i] == 'R2eff': > # Find the position of the first CPMG pulse train frequency > point. > pos = cdp.cpmg_frqs.index(min(cdp.cpmg_frqs)) > > # Scaling. > - scaling_matrix[i, i] = 1.0 / average(spin.intensities[pos]) > + scaling_matrix[i, i] = 1.0 / average(spin.r2effs[pos]) > + > + # No scaling for other parameters. > + else: > + pass > > # Increment i. > i = i + 1 > > > _______________________________________________ > relax (http://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://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
