Hi all, I measured Fe(II) edge EXAFS data for my protein that has two iron sites (Fe-Fe distance ~5A). My question is how to fit the model with the data? Can I discard the contribution of multiple scattering effects to the fitting? One most important information that I want to obtain is on the Fe-Fe distance. Is it enough to conclude from the raw data FT that the Fe-Fe distance in my protein sample has been changed in comparison to the Fe-Fe distance in the model (created with Feff using the crystal structure coordinates)? I try fitting using arthemis but got bad and weird results. is there any manual or step-by step guide that I can learn how to fit model of two metal sites to my data? Anther question that I have how can I get to the past discussions in the forum- is there any database for questions and answers that I can learn on the analysis of EXAFS data? Any help will be appreciated, MJacob
Anther question that I have how can I get to the past discussions in the
forum- is there any database for questions and answers that I can learn on the analysis of EXAFS data?
The archive is found here: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/ It can be searched using the Advanced search feature of Google and restrict the domain to the above address. -Rich
It is also worth mentioning that the FAQ (http://cars9.uchicago.edu/iffwiki/FAQ) answers many questions. It is also a living document in the sense that anyone can register with the Ifeffit wiki and add questions and answers. B On Wednesday 11 March 2009 10:05:35 am Richard Mayes wrote:
Anther question that I have how can I get to the past discussions in the
forum- is there any database for questions and answers that I can learn on the analysis of EXAFS data?
The archive is found here: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/
It can be searched using the Advanced search feature of Google and restrict the domain to the above address.
-Rich
-- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
On Wednesday 11 March 2009 09:40:31 am Michael Jacob wrote:
I measured Fe(II) edge EXAFS data for my protein that has two iron sites (Fe-Fe distance ~5A). My question is how to fit the model with the data? Can I discard the contribution of multiple scattering effects to the fitting? One most important information that I want to obtain is on the Fe-Fe distance. Is it enough to conclude from the raw data FT that the Fe-Fe distance in my protein sample has been changed in comparison to the Fe-Fe distance in the model (created with Feff using the crystal structure coordinates)? I try fitting using arthemis but got bad and weird results. is there any manual or step-by step guide that I can learn how to fit model of two metal sites to my data?
There is not a manual -- that is one of the great shortcomings of Artemis compared to Athena. There is, however, a LOT of useful information among the Tutorials and Workshops pages at http://xafs.org. I don't know if you will find precisely what you are looking for, but hopefully you will find enough that is relevant to get you started. Good luck, B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
participants (3)
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Bruce Ravel -
Michael Jacob -
Richard Mayes