[Ifeffit] about the k-range choice

Shaofeng Wang wangshaofeng at iae.ac.cn
Tue Apr 28 09:55:46 CDT 2020


Dear all,
I have a question about the k-range choice. I have a set of As K-edge XAS spectrum and the k space is shown in following figure
. 
When I choose k-range=4-12.4 A-1, the shape of R space is like 

When I chose k-range=4-13.4 A-1, the R-space is like 

The shape of second shell at approximately 2.8 A is obviously different. So, my question is how to correctly choose k range?


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: wangshaofeng at iae.ac.cn; sf.wang at hotmail.com
Address: Wenhua Road 72, Shenyang

发件人: George Sterbinsky
发送时间: 2020年4月14日 0:05
收件人: XAFS Analysis using Ifeffit
主题: [Ifeffit] Artemis crash upon empirical standard import.

Hello,

I am trying to import an empirical standard (.es file created in Athena) into Artemis. Upon import, Artemis crashes. This occurs with both the latest mac and windows releases (0.9.25 on mac and 0.9.26 on windows). I have attached an Athena project file containing the data used to generate the .es file (Co1-13C-std) and the data to be fit (Co1-57C-toFit). I have also attached the .es file. Following the instructions at https://bruceravel.github.io/demeter/documents/Artemis/extended/empirical.html, I import Co1-57C-toFit into Artemis and the choose "import an empirical standard" in the data window. When I choose the .es file from the file selection dialog, Artemis crashes.

Thank you,
George

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