On 15 June 2015 at 15:28, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote: > Hi Edward. > > What do you think about this bug report? > > I added some figures, showing that the parameter values does not represent > the expectation value of the Monte-Carlo simulation distribution.
Did you see my response at ... Oh, it was not reply-to-all and it went to the <no-reply.invalid-addr...@gna.org> email address only! My email from 3 hours ago was: """ This is actually the definition of Monte Carlo simulations. The parameter value is the optimised value and the parameter error is the standard deviation of the back-calculated distribution. There are two opposite and very much related values which do not have a great statistical meaning. That is the mean of the back-calculated distribution and the standard deviation of the non-back-calculated distribution. These are unused for good reason. You can create the non-back-calculated distribution by using the bootstrapping in relax - the mean of this will equal the optimised parameter value, but the standard deviation will not match the MC standard deviation. I suggest looking at the Numerical Recipes books as they have a great diagram of the Monte Carlo simulation setup and how the parameter value and error are calculated. """ Regards, Edward _______________________________________________ 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
