Mathematical expressions for the path parameters in Fitting
Hello, In EXAFS data modeling carried out by fitting excercise, we develop mathematical expressions for different path parametrs as functions of a smaller set of fitting parameters that can be adjusted to achieve to best fit to the data. I am carrying out EXAFS analysis of Eu(III) sorbed on different environmentally relevent mineral oxides. In conection of this i also analysed some reference standard compounds. In developing expression for different path parameters, though i developed the expressions using my own understanding and taking help from one of Shelly's tutorial regarding SnO2 case, i am not confident. Basically SS2, and deltaE expressions puzzle me. Could someone help me in understanding basic approach in developing their expressions(for reference Eu2O3 structure could be taken). Regards, Sumit
Hi Sumit:
There are a lot of different ways to constrain the EXAFS parameters in
a fitting model. Mostly they are determined by physically meaningful
relationships or through trial and error of "what works". I just sent
you my book chapter and you will find detailed discussion on many of
the common constraints in there. Another good place to look is in the
literature to find out what people have done for systems similar to
yours.
HTH,
Shelly
On Fri, Sep 17, 2010 at 1:01 AM,
Hello, In EXAFS data modeling carried out by fitting excercise, we develop mathematical expressions for different path parametrs as functions of a smaller set of fitting parameters that can be adjusted to achieve to best fit to the data. I am carrying out EXAFS analysis of Eu(III) sorbed on different environmentally relevent mineral oxides. In conection of this i also analysed some reference standard compounds. In developing expression for different path parameters, though i developed the expressions using my own understanding and taking help from one of Shelly's tutorial regarding SnO2 case, i am not confident. Basically SS2, and deltaE expressions puzzle me. Could someone help me in understanding basic approach in developing their expressions(for reference Eu2O3 structure could be taken). Regards, Sumit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hi Shelly,
I am also looking into different ways to constrain my EXAFS fits. If you
wouldn't mind, I would also be very interested in a copy of your book
chapter.
Thanks,
Brandon
On Fri, Sep 17, 2010 at 9:40 AM, Shelly Kelly
Hi Sumit:
There are a lot of different ways to constrain the EXAFS parameters in a fitting model. Mostly they are determined by physically meaningful relationships or through trial and error of "what works". I just sent you my book chapter and you will find detailed discussion on many of the common constraints in there. Another good place to look is in the literature to find out what people have done for systems similar to yours.
HTH, Shelly
On Fri, Sep 17, 2010 at 1:01 AM,
wrote: Hello, In EXAFS data modeling carried out by fitting excercise, we develop mathematical expressions for different path parametrs as functions of a smaller set of fitting parameters that can be adjusted to achieve to best fit to the data. I am carrying out EXAFS analysis of Eu(III) sorbed on different environmentally relevent mineral oxides. In conection of this i also analysed some reference standard compounds. In developing expression for different path parameters, though i developed the expressions using my own understanding and taking help from one of Shelly's tutorial regarding SnO2 case, i am not confident. Basically SS2, and deltaE expressions puzzle me. Could someone help me in understanding basic approach in developing their expressions(for reference Eu2O3 structure could be taken). Regards, Sumit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hi Brandon:
Here you go.
Good luck,
Shelly
On Fri, Sep 17, 2010 at 11:54 AM, Brandon Reese
Hi Shelly,
I am also looking into different ways to constrain my EXAFS fits. If you wouldn't mind, I would also be very interested in a copy of your book chapter.
Thanks, Brandon
On Fri, Sep 17, 2010 at 9:40 AM, Shelly Kelly
wrote: Hi Sumit:
There are a lot of different ways to constrain the EXAFS parameters in a fitting model. Mostly they are determined by physically meaningful relationships or through trial and error of "what works". I just sent you my book chapter and you will find detailed discussion on many of the common constraints in there. Another good place to look is in the literature to find out what people have done for systems similar to yours.
HTH, Shelly
On Fri, Sep 17, 2010 at 1:01 AM,
wrote: Hello, In EXAFS data modeling carried out by fitting excercise, we develop mathematical expressions for different path parametrs as functions of a smaller set of fitting parameters that can be adjusted to achieve to best fit to the data. I am carrying out EXAFS analysis of Eu(III) sorbed on different environmentally relevent mineral oxides. In conection of this i also analysed some reference standard compounds. In developing expression for different path parameters, though i developed the expressions using my own understanding and taking help from one of Shelly's tutorial regarding SnO2 case, i am not confident. Basically SS2, and deltaE expressions puzzle me. Could someone help me in understanding basic approach in developing their expressions(for reference Eu2O3 structure could be taken). Regards, Sumit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
participants (3)
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Brandon Reese
-
Shelly Kelly
-
sumitk@barc.gov.in