Hi Shaofeng, Is there a reason not to use the highest k data? (You have really good data past k=14?). In general you should use as high of a k range as available unless the data are bad, compromised at high k and/or you want to compare to data of a certain k range. As you know, the shape of FT will look different as you increase k range for the transform. I suspect though that you would arrive at the same fit ( in this case) if you choose 12.4 or 13.4 data. Best Wishes, Riti Sent from my iPhone

On Apr 28, 2020, at 7:56 AM, Shaofeng Wang wrote:

 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 . <62CD6A1C65DE4791A677B8B96C5B567D.png> When I choose k-range=4-12.4 A-1, the shape of R space is like <284C723090C7429A9A9240868B20C63C.png> When I chose k-range=4-13.4 A-1, the R-space is like <2530E8F00B5E4A169C79D3230E58A885.png> 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@iae.ac.cn; sf.wang@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.ht..., 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

<62CD6A1C65DE4791A677B8B96C5B567D.png> <284C723090C7429A9A9240868B20C63C.png> <2530E8F00B5E4A169C79D3230E58A885.png> _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

Hi Mismel, Unfortunately, I do not have a solution, but there are some potential workarounds. In the end, I used the log-ratio method for the analysis I was doing, which can give the same information and is built into Athena. In the past I have also taken the phase and amplitude functions extracted from a standard, formatted them like the output of a FEFF file, and then imported them into Artemis as if they were a FEFF calculation. That approach works fine, but is a bit more effortful. HTH, George On Thu, May 21, 2020 at 12:49 PM Mismel Ruiz wrote:

Hello George:

Did you finally solved this problem? I´m having the same situation when trying to import an empirical standard.

Thank you,

Mismel.

El lun., 13 de abr. de 2020 a la(s) 11:04, George Sterbinsky ( GeorgeSterbinsky@u.northwestern.edu) escribió:

...

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.ht..., 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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

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