Re: [Ifeffit] Ifeffit Digest, Vol 224, Issue 12

Hi Lisa, On Fri, Oct 22, 2021 at 8:03 PM Lisa Langlois wrote:

XAS Library?

Dear Bruce. I was wondering how the XAS library is coming along. I have not seen too much update on that in Hephaestus. Best wishes, Lisa

This is not exactly an answer about the XAS data available with Hephaestus, but you might find some additional useful XAS spectra at the following online XAS databases: https://xaslib.xrayabsorption.org/elem/ http://ixs.iit.edu/database/ https://www-ssrl.slac.stanford.edu/mes/spectra/index.html https://www.esrf.fr/home/UsersAndScience/Experiments/XNP/ID21/php.html https://pfxafs.kek.jp/xafsdata/list.php https://www.cat.hokudai.ac.jp/catdb/index.php?action=xafs_dbinpbrowse&selection=2&r=13 https://mdr.nims.go.jp/catalog?f%5Bmember_of_collections_ssim%5D%5B%5D=MDR+XAFS+DB&locale=en There may be others! As it happens, I just learned about the last one in that list on Friday -- It is meant to join/replace the 2 other databases from Japan listed just above it, and add other data (including from SPring8, if I understand correctly). It appears to me to be the most comprehensive. The data at IIT are in various formats some of which are very hard to deal with, and the sample sources and data are not very well described. The xaslib.xrayabsorption.org site is a not-quite-complete attempt at making a database that could be "neutral" in the sense of not tied to any one facility, hosted by the IXAS, and possible (at least in principle) for others to contribute and rate data. I have not worked on it much in the past year or so and it has sort of languished. It probably deserves more attention. Suggestions for how to improve this would be most welcome. In the discussion where I learned about the NIMS database effort, we thought that forming an ad hoc Working Group of the IXAS to discuss some of the issues for combining such databases, and hopefully make some progress in gathering data from various sources and having a more definitive set of data. I will be reaching out to several people about this, but if anyone hear is interested in participating in this effort, please contact me. --Matt

On Wed, Oct 20, 2021 at 9:33 AM wrote:

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Today's Topics:

1. Re: [Ext] FW: Problem in installing Larch (Jeffrey Terry) 2. Re: Problem in installing Larch (Matt Newville)

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Message: 1 Date: Wed, 20 Oct 2021 09:31:56 -0500 From: Jeffrey Terry To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] [Ext] FW: Problem in installing Larch Message-ID: <8D09051C-F118-4DFB-BF91-221C63110D54@iit.edu> Content-Type: text/plain; charset="utf-8"

?Hi Raheleh,

We have submitted a bug fix for this. Expect a new version of Larch to be released shortly.

We rely heavily on Larch for our EXAFS Neo analysis package and this has broken our code as well.

Jeff

Jeff Terry Interim Chair, Department of Social Sciences Professor of Physics Professor of Mechanical, Materials, and Aerospace Engineering Editor, Applied Surface Science Prairie Chapter Chair, AVS Illinois Institute of Technology 3101 S. Dearborn St. Chicago IL 60616 630-252-9708

Sent from my iPhone

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On Oct 20, 2021, at 9:12 AM, Daneshpour, Raheleh wrote: ?

Hello!

I am Raheleh a PhD student at Penn State working in FeNi catalysis and using XAS. I am trying to install the Larch, but I constantly get an error message on different computers and using different installation methods. The attached file is a screenshot of the error message I got. Could you please help me to figure out how to solve the problem? Thanks, Raheleh

Raheleh Daneshpour (She/Her) Ph.d. student

Email: rmd5926@psu.edu

Chemical engineering department The Pennsylvania State University University Park, PA

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