This looks good! Cheers,
Edward On 16 January 2015 at 23:20, <tlin...@nmr-relax.com> wrote: > Author: tlinnet > Date: Fri Jan 16 23:20:04 2015 > New Revision: 27209 > > URL: http://svn.gna.org/viewcvs/relax?rev=27209&view=rev > Log: > Extended user function monte_carlo.create_data() to accept > 'method="sum_squares"', to create Monte-Carlo data. > > Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, > where errors are generated with width of standard deviation or residuals. > > Modified: > trunk/user_functions/monte_carlo.py > > Modified: trunk/user_functions/monte_carlo.py > URL: > http://svn.gna.org/viewcvs/relax/trunk/user_functions/monte_carlo.py?rev=27209&r1=27208&r2=27209&view=diff > ============================================================================== > --- trunk/user_functions/monte_carlo.py (original) > +++ trunk/user_functions/monte_carlo.py Fri Jan 16 23:20:04 2015 > @@ -76,13 +76,13 @@ > desc_short = "method", > desc = "The simulation method.", > wiz_element_type = "combo", > - wiz_combo_choices = ["Monte Carlo", "Bootstrapping"], > - wiz_combo_data = ["back_calc", "direct"], > + wiz_combo_choices = ["Monte Carlo", "Bootstrapping", "STD from sums of > squares"], > + wiz_combo_data = ["back_calc", "direct", "sum_squares"], > wiz_read_only = True > ) > # Description. > uf.desc.append(Desc_container()) > -uf.desc[-1].add_paragraph("The method can either be set to back calculation > (Monte Carlo) or direct (bootstrapping), the choice of which determines the > simulation type. If the values or parameters are calculated rather than > minimised, this option will have no effect. Errors should only be propagated > via Monte Carlo simulations if errors have been measured. ") > +uf.desc[-1].add_paragraph("The method can either be set to back calculation > (Monte Carlo) or direct (bootstrapping) or sums of squares (STD from sums of > squares), the choice of which determines the simulation type. If the values > or parameters are calculated rather than minimised, this option will have no > effect. Errors should only be propagated via Monte Carlo simulations if > errors have been measured. 'STD from sums of squares' is where errors are > drawn from a distribution of sums of squares of the residual.") > uf.desc[-1].add_paragraph("For error analysis, the method should be set to > back calculation which will result in proper Monte Carlo simulations. The > data used for each simulation is back calculated from the minimised model > parameters and is randomised using Gaussian noise where the standard > deviation is from the original error set. When the method is set to back > calculation, this function should only be called after the model is fully > minimised.") > uf.desc[-1].add_paragraph("The simulation type can be changed by setting the > method to direct. This will result in bootstrapping simulations which cannot > be used in error analysis (and which are no longer Monte Carlo simulations). > However, these simulations are required for certain model selection > techniques (see the documentation for the model selection user function for > details), and can be used for other purposes. Rather than the data being > back calculated from the fitted model parameters, the data is generated by > taking the original data and randomising using Gaussian noise with the > standard deviations set to the original error set.") > uf.desc.append(monte_carlo_desc) > > > _______________________________________________ > 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
