[Ifeffit] 回复: larch can not deconvolve my data

[Shaofeng Wang]

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: wangshaofeng at iae.ac.cn; sf.wang at 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: XAFS Analysis using Ifeffit
主题: Re: [Ifeffit] larch can not deconvolve my data

Hi Shaofeng,

Sorry for the trouble.  It turns out that the energy array for that spectrum had two energy points that were different by 0.001 eV.    That's not that uncommon, really.  But deconvolution needs to interpolate the data onto a uniform energy grid, and it was using the smallest difference as the energy step size. That made the array size very large, and the deconvolution was just taking forever.   

I have fixed the deconvolution code to better guard against absurdly tiny energy steps or very large arrays.  But it will be a little while before I make another release, so I also attach a project file where I moved the energy values for the two offending points so that they are different by 0.05 eV.    I think that should work for you with the latest released code.  

Cheers,





On Thu, Apr 9, 2020 at 8:36 PM Shaofeng Wang <wangshaofeng at iae.ac.cn> wrote:
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 Ecology, CAS
Email: wangshaofeng at iae.ac.cn; sf.wang at hotmail.com
Address: Wenhua Road 72, Shenyang
 
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-- 
--Matt Newville <newville at cars.uchicago.edu> 630-252-0431

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