Artemis: Rejects first shell fitting
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
Hello A
Which foil?
Kind Regards,
Shelly
-----Original Message-----
From: avijay--- via Ifeffit
Hello! I was trying to fit the Sn foil reference . As a side note, I did check another literature (DOI 10.1149/2.0091412jss) who also fit the data between higher R space: 1.8 and 3.0 (3.5) Å, which I think is similar to my attempt at the fitting where the Sn1.1 and Sn1.2 at lower R were excluded from the fit to get a meaningful value of the parameters of the fit. I appreciate the help! Best, A
To follow up on Edmund’s comment, tin has a few different (and pretty
distinct) crystalline phases. I think neither “white” nor “grey” tin has a
near neighbor distance below 2.5 Ang. I don’t recall the structure of the
other phase.
Tin is slightly complicated for a reference material.
--Matt
Dear A, I think you are trying to fit a peak which shouldn't be there. If
you call 1. 8 to 3. 5 higher R space I think you are trying to fit an
artifact of the FT. You should try and go back to the background
subtraction etc. Cheers, Edmund -----
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participants (5)
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avijay＠ethz.ch -
Kelly, Shelly Diane -
Matthew Newville -
Robert Gordon -
Welter, Edmund