Re: [Ifeffit] errors in bond lengths

2020-04-12 Thread George Sterbinsky
Matthew, Matt, and Anatoly, Thanks for your replies and some good suggestions. You have convinced me that the best thing for me to do here is to try multiple analysis methods and see how well the results, and uncertainties, compare, as was done in the previously referenced PRL. Thanks again,

Re: [Ifeffit] errors in bond lengths

2020-04-12 Thread Matthew Marcus
Something I've done for analyzing DWF on data taken at several temperatures is what I called 'consensus amplitude' fitting. Here, I fitted shells to k^n*chi[i](k) = exp(-2 dsig2[i] k^2) A(k) sin(phi(k)+2 dr[i]k) where i is the index to temperature, and the fit parameters are A(k), phi(k),

Re: [Ifeffit] errors in bond lengths

2020-04-12 Thread Matt Newville
Hi George, I think this will not be a different answer from Matthew's or Anatoly's answers, but just reiterate their points. The Purans et al 2008 PRL from 2008 appears to use both non-linear fitting with Feff and EDA (which should give basically the same results as Artemis/Ifeffit/Larch, though