Re: [Ifeffit] errors in bond lengths

2020-04-11 Thread Anatoly Frenkel
Matthew, In the paper by Purans et al that George references, they showed that the FEFF fitting method and ratio method agreed, and in the ratio method the amplitudes and phases are extracted from experimental standards, just as in your paper. Anatoly On Sat, Apr 11, 2020 at 2:21 PM Matthew

Re: [Ifeffit] errors in bond lengths

2020-04-11 Thread Matthew Marcus
The uncertainties reported by Artemis include as 'noise' the systematic deviation of FEFF calculation from the real thing. Even if FEFF were perfect, those FEFF calcs haven't been through the mutilations inflicted by data reduction, such as spline fitting. What I've done when looking at

[Ifeffit] errors in bond lengths

2020-04-11 Thread George Sterbinsky
Hello, As is well known, EXAFS is more accurate at determining relative changes in bond lengths than absolute changes in bond lengths due to cancelation of systematic errors in relative comparisons. When comparing the relative changes in bond lengths determined from EXAFS fits, as one might for a