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Does it make physical sense? No. You should be able to fit a known reference first shell, or shells if there is more than one under the first peak in the transform (i.e. bcc has 2 plus a bit of multiple scattering). Check your data. Check how you processed your data. Compare with literature. Check your Feff model. Fitting the first shell(s) should give a reasonable So^2 estimate if the environments are similar between reference and unknowns. -R. On 2025-02-12 4:38 a.m., avijay--- via Ifeffit wrote: > Hello all, > > I am trying to fit my data using Artemis for a reference foil sample. However, the fit seems to get worse when I include the scattering paths at lowest R (i.e. the first shell scattering, with the highest rank). Does it make physical sense to not include this in the fitting? Is it acceptable to try and fit only a certain range of the |X(R)| vs R for the foil reference - in order to estimate the amplitude reduction factor for subsequent fitting of the real samples? > > Any insight/advice is much appreciated. Thank you. > > Best, > A > ifeffit mailing list: https://millenia.cars.aps.anl.gov/mailman3/lists/ifeffit.millenia.cars.aps.anl.gov/ > to unsubscribe, send mail to ifeffit-le...@millenia.cars.aps.anl.gov
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