Hello,
It seems to me that you have some more problems than just ss values.
The data collection range seems a little short just ~300 eV past the
edge. Amp is quite high and delr is very large. I am an expert by no
means but I might suggest that you have the wrong model. The model is
trying to compensate for high R space magnitude by making amp above 1
and ss negative. Have you considered your data processing in Athena?
Did you use the default settings? I would guess Cu-O bonds might be
too short for the presets in Athena. How did you check your model?
Buena salud,
Chris Patridge
On Jul 14, 2010, at 2:59 AM, Abhijeet Gaur
Hi all, I read the discussion on negative Debye waller factor. As per the discussion the negative value of this factor shows that the model has shortcomings, so it should be corrected. I am also getting the same problem while fitting one of my samples. It is a Cu complex whose EXAFS data is taken at Dispersive EXAFS beamline at RRCAT, Indore, India. In the complex the nearest neighbours of Copper atom are Nitrogen and Oxygen. I am getting a very good fit upto 3rd shell but the problem is that all ss parameters are coming negative. I checked the model it seem correct. Also I am getting a peak below 1 Angs which is also getting fitted but I am not able to get that whether it is a real or due to some noise. I am attaching herewith the results of data analysis and fitting. Thanks in advance With regards Abhijeet Gaur Vikram University Ujjain, INDIA <Cu complex fitting results.doc> _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit