- Ifeffit - millenia.cars.aps.anl.gov

(no subject)
by Michael Jacob 11 Mar '09

11 Mar '09

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

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protonated pentatitanate
by A M 11 Mar '09

11 Mar '09

Dear All I have huge problem with my spectra for protonated pentatitanate ( H2Ti5O11 *3H2O), I’ve tried to build theoretical model for this compound (penta.cif) but unfortunately I have 5 Ti atoms in my formula, so I really don’t know what Ti I should select as a core atom...I tried with 5 different options Ti1....Ti5, so I obtained 5 different models (with distances between Ti-O in first shell sometimes very short 1.59A)... I would be very grateful for any help.... Best regards Marie

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latest version of horae in Debian
by Carlo Segre 07 Mar '09

07 Mar '09

Hi All: After a long delay, I have finally managed to make Debian packages of the new-look horae (after version 069) and upload it to the Debian archive. As usual, I have backported to the current Debian stable (lenny) and to Ubuntu intrepid and jaunty. Because of significant changes, I am not supporting Debian etch or Ubuntu hardy. The old versions of horae are still avilable for those in my archive. The packages can be obtained by putting the appropriate lines on your /etc/apt/sources.list file. Instructions are at http://debian-xray.iit.edu/ Cheers, Carlo -- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre(a)iit.edu http://www.iit.edu/~segre segre(a)debian.org

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Nickel theory
by maho mah 04 Mar '09

04 Mar '09

dear all, I have calculated each one for Ni l2 l3 edges and them together myself .But satellite peak is so broadened in theorical calculation.what will I do for this?? M _________________________________________________________________ Windows Live™ Groups: Create an online spot for your favorite groups to meet. http://windowslive.com/online/groups?ocid=TXT_TAGLM_WL_groups_032009

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Request for Foil Spectra
by Kelly, Shelly 04 Mar '09

04 Mar '09

Hi Everyone, I'm planning on submitting a small EXAFS 14 paper on the comparison of S02 from different beamlines using foils of Cu, Pd, Ag, and Au spectra. I've raided the APS/XOR data for Cu and Ag spectra from all around the APS ring. If you would like to donate foil spectra to the cause, we will include you as an author. Please also send the thickness and source of the foil, the beamline that it was collected on, and a reference for the beamline (if possible). I'm not sure that the paper will include all 4 edges. I'm mostly interested in Cu and Ag since I have a fairly complete set of those already. Thanks for your help, Shelly

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Nickel
by maho mah 03 Mar '09

03 Mar '09

dear all, I am interest in NiTi allow.and I done Total electron yield (TEY) method for NiTi .I would like to see together l3 and l2 edges peak versus theorical Ni L3 and L2 edges.I done it using FEFF8 for theorical calculation but it is not similar measured ones.how can I do for this?especially satellite peak does not seem like measured satellite one. thanks for in advance maho mali _________________________________________________________________ Hotmail® is up to 70% faster. Now good news travels really fast. http://windowslive.com/online/hotmail?ocid=TXT_TAGLM_WL_HM_70faster_032009

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Cu data
by abhijeet gaur 03 Mar '09

03 Mar '09

Hello everyone I have some copper foil data that is taken from rotating anode spectrometer. But it has lot of errors.So where can I find Cu data taken from rotating anode on the web so that I can correct my data .If someone can share data with me , then it will also be very helpfull. Abhijeet Gaur

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XANES/EXAFS spectrum of AsF3
by Gleb S. Pokrovski 02 Mar '09

02 Mar '09

Hello, I'm looking for XANES/EXAFS at As K-edge of AsF3 (arsenic(III) fluoride) and/or any other As(III) fluorinated compound. Could someone share such spectra with me if he/she have them? Many thanks in advance Gleb

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(no subject)
by Cammelli Sebastiano 02 Mar '09

02 Mar '09

Dear Feff user I had a problem trying to simulate the EXAFS spectrum of a Cu foil. I found a small shift in the k space and I do not know if it is significant and, if it is, how to correct it. In the doc file I attached you will find the details of the problem, the feff.inp and some explications. Do not worry about its size, pictures are large and the feff.inp takes space... Thank you a lot for your help Sebastiano Sebastiano.cammelli(a)psi.ch

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I got that
by abhijeet gaur 24 Feb '09

24 Feb '09

Thanks Dr. Dominik . I should have tried this on web .Anyways thanks again Sir. Abhijeet

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