Hi Troels, For the user function description, could you expand the STD acronym? I guess this is the standard deviation (https://en.wikipedia.org/wiki/Standard_deviation), but STD is not the standard acronym for this (see https://en.wikipedia.org/wiki/STD and https://en.wikipedia.org/wiki/Sexually_transmitted_infection). SD is the normal acronym.
Cheers, Edward On 20 January 2015 at 12:02, <tlin...@nmr-relax.com> wrote: > Author: tlinnet > Date: Tue Jan 20 12:02:10 2015 > New Revision: 27225 > > URL: http://svn.gna.org/viewcvs/relax?rev=27225&view=rev > Log: > Extended the user function 'monte_carlo.create_data', to allow for the > defition of the STD to use in gauss distribution. > > This is for creation of Monte-Carlo simulations, where one has perhaps gained > information about the expected errors of the datapoints, which is not > measured. > > Task #7882 (https://gna.org/task/?7882): Implement Monte-Carlo simulation, > where errors are generated with width of standard deviation or residuals.): > 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=27225&r1=27224&r2=27225&view=diff > ============================================================================== > --- trunk/user_functions/monte_carlo.py (original) > +++ trunk/user_functions/monte_carlo.py Tue Jan 20 12:02:10 2015 > @@ -87,16 +87,24 @@ > desc_short = "distribution", > desc = "The error distribution method.", > wiz_element_type = "combo", > - wiz_combo_choices = ["Measured error", "Reduced chi2"], > - wiz_combo_data = ["measured", "red_chi2"], > + wiz_combo_choices = ["Measured error", "Reduced chi2", "Fixed error"], > + wiz_combo_data = ["measured", "red_chi2", "fixed"], > wiz_read_only = True > +) > +uf.add_keyarg( > + name = "fixed_error", > + py_type = "float", > + default = None, > + desc_short = "fixed error value for fixed error distribution.", > + desc = "The fixed value to use when distribution is set to 'fixed'.", > + can_be_none = 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("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[-1].add_paragraph("The errors generated per simulation can either be > generated indidual per datapoint and drawn from a gauss distrubtion described > by the STD of the indidual point, or it can be generated from a overall gauss > distribution described by the STD_fit of the goodness of fit, where STD_fit = > sqrt(chi2/(N-p)).") > +uf.desc[-1].add_paragraph("The errors generated per simulation can either be > generated indidual per datapoint and drawn from a gauss distrubtion described > by the STD of the indidual point, or it can be generated from a overall gauss > distribution described by the STD_fit of the goodness of fit, where STD_fit = > sqrt(chi2/(N-p)). The last possibility is to supply a fixed value of STD, > from which gauss distribution to draw errors from.") > uf.desc.append(monte_carlo_desc) > uf.backend = error_analysis.monte_carlo_create_data > uf.menu_text = "&create_data" > > > _______________________________________________ > 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
