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 <wangshaof...@iae.ac.cn> 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: wangshaof...@iae.ac.cn; sf.w...@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 > > <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
_______________________________________________ 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
