[Ifeffit] Ifeffit Digest, Vol 224, Issue 12
Matthew Newville
matt.newville at gmail.com
Sun Oct 24 21:53:17 CDT 2021
Hi Lisa,
On Fri, Oct 22, 2021 at 8:03 PM Lisa Langlois <ll.lisa.langlois at gmail.com>
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 <ifeffit-request at millenia.cars.aps.anl.gov>
> 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)
>>
>>
>> ----------------------------------------------------------------------
>>
>> Message: 1
>> Date: Wed, 20 Oct 2021 09:31:56 -0500
>> From: Jeffrey Terry <terryj at iit.edu>
>> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
>> Subject: Re: [Ifeffit] [Ext] FW: Problem in installing Larch
>> Message-ID: <8D09051C-F118-4DFB-BF91-221C63110D54 at 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
>>
>> > On Oct 20, 2021, at 9:12 AM, Daneshpour, Raheleh <rmd5926 at psu.edu>
>> 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
>> >
>> > <image001.png>
>> > Raheleh Daneshpour (She/Her)
>> > Ph.d. student
>> >
>> > Email: rmd5926 at psu.edu
>> >
>> > Chemical engineering department
>> > The Pennsylvania State University
>> > University Park, PA
>> >
>> >
>> > <Capture-larch.PNG>
>> > _______________________________________________
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>> > Ifeffit at millenia.cars.aps.anl.gov
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>> ------------------------------
>>
>> Message: 2
>> Date: Wed, 20 Oct 2021 09:31:41 -0500
>> From: Matt Newville <newville at cars.uchicago.edu>
>> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
>> Subject: Re: [Ifeffit] Problem in installing Larch
>> Message-ID:
>> <CA+7ESboe4g5hCqa6QVw83vyUy9t2pUo7cb3d-qZJ18HYL6=
>> zow at mail.gmail.com>
>> Content-Type: text/plain; charset="utf-8"
>>
>> Hi Raheleh,
>>
>> Sorry, this has been seen a few times now, and "just" needs a new release
>> of xraylarch posted. I hope to do this within a day or so.
>>
>> Cheers,
>>
>>
>> On Wed, Oct 20, 2021 at 9:11 AM Daneshpour, Raheleh <rmd5926 at psu.edu>
>> 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 at psu.edu
>> >
>> >
>> >
>> > Chemical engineering department
>> >
>> > The Pennsylvania State University
>> >
>> > University Park, PA
>> >
>> >
>> >
>> >
>> > _______________________________________________
>> > Ifeffit mailing list
>> > Ifeffit at millenia.cars.aps.anl.gov
>> > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>> > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
>> >
>>
>>
>> --
>> --Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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>> End of Ifeffit Digest, Vol 224, Issue 12
>> ****************************************
>>
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