[Ifeffit] artemis can not use a cif file

Hi Bruce, I want to use a crystal structure file to calculate the path. But the software remind me it can not use crystal data whick has sites of partial occupancy. How can I solve this problem. See the file in attachment. Shaofeng Tooeleite.cif Description: Binary data

Re: [Ifeffit] artemis can not use a cif file

can not use a cif file Shaofeng, What have you tried so far to address your problem? B From: ifeffit-boun...@millenia.cars.aps.anl.gov [ifeffit-boun...@millenia.cars.aps.anl.gov] on behalf of Shaofeng Wang

[Ifeffit] linear combination fitting

Dear Bruce, I am using Dathena to do some linear combination fitting. In your program, you give three methods for fitting, nomal, derivate and chi(k). I got three different results using these methods. My question is which one is better to obtain more reasonable result or what the purpose of

[Ifeffit] simulating As K edge XANES using full multi scatering method

Dear all, Does anyone have experience for simulating As K edge XANES using multi-scatering method or some other methods. Please introduce some papers or articles to me. Any help is appreciated. Regards, Shaofeng___ Ifeffit mailing list

Re: [Ifeffit] simulating As K edge XANES using full multi scatering method

, Shaofeng Wang wrote: Dear all, Does anyone have experience for simulating As K edge XANES using multi-scatering method or some other methods. Please introduce some papers or articles to me. Any help is appreciated. Regards, Shaofeng

Re: [Ifeffit] simulating As K edge XANES using full multi scatering method

best regards Gleb On 17/07/2014 09:56, Shaofeng Wang wrote: Dear all, Does anyone have experience for simulating As K edge XANES using multi-scatering method or some other methods. Please introduce some papers or articles to me.Any help is appreciated. Regards, Shaofeng

Re: [Ifeffit] Mn3O4 EXAFS fitting

Dear Scott, Could you send me a copy of your book? Best regards, Shaofeng Wang -- Shaofeng Wang, Ph.D Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaof...@iae.ac.cn

Re: [Ifeffit] new build of the Demeter installer for Windows

Hi everybody, Does someone have a xafs spectra of Na2HAsO4? Please send me a copy. Many thanks. Shaofeng -- Shaofeng Wang, Ph.D Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China

[Ifeffit] Fe K edge spectrum of scorodite

Dear all, Can anyone have Fe K edge exafs spectrum of scorodite share a copy? Thanks in advance. Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016

[Ifeffit] a small question

that of sample As2? Or this depends on fitting results ? Any help is very appreciated. Cheers, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016

Re: [Ifeffit] report bugs

Dr. Chu, I met this program, too. The beta version of 0.9.25 is ok. 王少锋 -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaof...@iae.ac.cn

Re: [Ifeffit] Fwd: about sigma2 for exafs fitting

Dear Scott, Thanks for your explaination. All the samples were measured at 77K using a homemade cryogenic box. I will try to do the Hamilton test according to your book. Best, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular

Re: [Ifeffit] Fwd: about sigma2 for exafs fitting

beta function of 0.0807. Does it mean something? Cheers, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaof...@iae.ac.cn

Re: [Ifeffit] about sigma2 for exafs fitting

aofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaof...@iae.ac.cn www.iae.cas.cn From: Scott Calvin Sent: Friday, January 06, 2017 3:34 AM To

[Ifeffit] looking for a raw data of As(V) adsorbed on lepidocrocite

Dear everybody, I am doing some EXAFS analysis of As(V). Would anyone share me an XAS raw data of As(V) adsorbed on lepidocrocite for comparison? Any help is very appreciated. Best, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular

[Ifeffit] question about sigma2 and atomic distance

Dear everyone, Could experts explain the relationship between sigma2 and atomic distance of same two atoms? Best regards, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy

[Ifeffit] could coordination environment influence edge position of arsenate

or some references? Thanks in advance. Best regards, Shaofeng -- Shaofeng Wang, Ph.D of Geochemistry Environmental Molecular Science Group Institute of Applied Ecology, Chinese Academy of Sciences Shenyang, 110016, China wangshaof...@iae.ac.cn www.iae.cas.cn

[Ifeffit] larch can not deconvolve my data

Dear all, Recently I am trying to deconvolve a As K-edge xafs data using larch. But the xas viewer program always crash. I tried other K edge spetra, it worked well. I attached my data, please give me some help. 祝 好运！ Best regards, 王少锋，Shaofeng Wang, Ph.D 中国科学院沈阳应用生态研究所，Institute of Applied

[Ifeffit] 回复: larch can not deconvolve my data

Dear Matt, Thanks for your help. Looking forward to next release. 祝 好运！ Best regards, 王少锋，Shaofeng Wang, Ph.D 中国科学院沈阳应用生态研究所，Institute of Applied Ecology, CAS Email: wangshaof...@iae.ac.cn; sf.w...@hotmail.com Address: Wenhua Road 72, Shenyang 发件人: Matt Newville 发送时间: 2020年4月10日 12:24 收件人

[Ifeffit] looking for EXAFS spectra of antimonate

Dear all, Could anyone share a EXAFS spectra of sodium antimonate or iron antimonate? Thanks in advance. 祝 好运！ Best regards, 王少锋，Shaofeng Wang, Ph.D 中国科学院沈阳应用生态研究所，Institute of Applied Ecology, CAS Email: wangshaof...@iae.ac.cn; sf.w...@hotmail.com Address: Wenhua Road 72, Shenyang