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@iae.ac.cn; sf.wang@hotmail.com Address: Wenhua Road 72, Shenyang
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
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@iae.ac.cn; sf.wang@hotmail.com Address: Wenhua Road 72, Shenyang
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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@iae.ac.cn; sf.wang@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
participants (2)
-
Matt Newville
-
Shaofeng Wang