- Ifeffit - millenia.cars.aps.anl.gov

Fw: Re: request help about Zn standard spectra
by Qiang Chang 27 Jan '20

27 Jan '20

Dear Mauro, Thank you so much for your kind and quick help. Best reards, Qiang From: Mauro Rovezzi Date: 2020-01-27 09:45 To: ifeffit Subject: Re: [Ifeffit] request help about Zn standard spectra Dear Qiang, Here some Zn K-edge spectra from the SSHADE/FAME database: https://www.sshade.eu/search?db=fame&query=%22Zn%20K%20edge%22 Best regards, Mauro On 2020-01-26 21:06, Qiang Chang wrote: > Hi all, > > May I ask if you have some standard spectra for Zn elements, like > metallic Zn, ZnO, ZnNx, etc. I am vey appreciative if you could send me > some copies. > > Thank you very much. > > Best regards, > Qiang > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)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(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit

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request help about Zn standard spectra
by Qiang Chang 27 Jan '20

27 Jan '20

Hi all, May I ask if you have some standard spectra for Zn elements, like metallic Zn, ZnO, ZnNx, etc. I am vey appreciative if you could send me some copies. Thank you very much. Best regards, Qiang

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interesting job posting at NSLS-II
by Ravel, Bruce 25 Jan '20

25 Jan '20

Hi all, A colleague of mine here at NSLS-II has an interesting post-doc position open right now. https://jobs.bnl.gov/job/upton/postdoctoral-research-associate-in-total-sca… This position is for a person doing total scattering (aka PDF). Strictly speaking, not an XAS position, but perhaps of interest to someone with an XAS background who is looking for a post-doc. Regards, Bruce -- Bruce Ravel ------------------------------------ bravel(a)bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Lead Beamline Scientist, 6BM (BMM) Building 743, Room 114 Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Beamline: https://www.bnl.gov/ps/beamlines/beamline.php?r=6-BM Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/

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smoothing XAS data
by Daria Boglaienko 23 Jan '20

23 Jan '20

Hello, In what case smoothing of the data is OK? My data have a lot of noise and smoothing really helps (visually). I compared fit done in Artemis for smoothed and non-smoothed data sets and the result is very similar, however when I searched about it online, it looks like it is not recommended. What is a good way to justify it? Thank you! -Daria

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Re: [Ifeffit] Ifeffit Digest, Vol 203, Issue 5
by Christopher Chantler 22 Jan '20

22 Jan '20

Dear all I agree with Mike and Scott too. I might suggest Schalken, M. J. and Chantler, C. T. "Preservation of uncertainty in experiment: structures of Ni (II) coordination complexes" (2018) J. Synchrotron Rad., 25, 920-934 as a partial discussion around this topic if people are interested. It could be read as 'don't smooth data if you can avoid it'. Very best wishes to all Chris -------------------------------------------------------------------------------------- Christopher Chantler, Professor, FAIP, Fellow American Physical Society Editor-in-Chief, Radiation Physics and Chemistry Chair, International IUCr Commission on XAFS; CIT, CCN IPP, International Radiation Physics Society School of Physics, University of Melbourne Parkville Victoria 3010 Australia +61-3-83445437 FAX +61-3-93474783 chantler(a)unimelb.edu.au<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> chantler(a)me.com<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/home.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> ________________________________ From: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> on behalf of ifeffit-request(a)millenia.cars.aps.anl.gov <ifeffit-request(a)millenia.cars.aps.anl.gov> Sent: Thursday, 23 January 2020 4:05 PM To: ifeffit(a)millenia.cars.aps.anl.gov <ifeffit(a)millenia.cars.aps.anl.gov> Subject: Ifeffit Digest, Vol 203, Issue 5 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. smoothing XAS data (Daria Boglaienko) 2. Re: smoothing XAS data (Carlo Segre) 3. Re: smoothing XAS data (Scott Calvin) 4. Re: smoothing XAS data (Mike Massey) 5. Re: smoothing XAS data (Will Bennett) ---------------------------------------------------------------------- Message: 1 Date: Wed, 22 Jan 2020 17:38:43 -0800 From: Daria Boglaienko <dbogl003(a)fiu.edu> To: ifeffit(a)millenia.cars.aps.anl.gov Subject: [Ifeffit] smoothing XAS data Message-ID: <CAACWq8BmJFr0QNUHk1YrsB7w3BLGhzyus9pXow0Ng+ER3eAZDQ(a)mail.gmail.com> Content-Type: text/plain; charset="utf-8" Hello, In what case smoothing of the data is OK? My data have a lot of noise and smoothing really helps (visually). I compared fit done in Artemis for smoothed and non-smoothed data sets and the result is very similar, however when I searched about it online, it looks like it is not recommended. What is a good way to justify it? Thank you! -Daria

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Larch Mac OS X 10.15 Catalina
by Jeff Terry 10 Jan '20

10 Jan '20

Hi Matt, I had to upgrade my Mac to OS X 10.15 and it blew up my Anaconda distribution which has forced me to reinstall everything from scratch. Now whether I install larch from source or by using conda, I get the following error: Traceback (most recent call last): File "/Users/jterry/anaconda3/lib/python3.7/ctypes/__init__.py", line 97, in CFUNCTYPE return _c_functype_cache[(restype, argtypes, flags)] KeyError: (None, (<class 'epics.dbr.access_rights_handler_args'>,), 1) During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/Users/jterry/anaconda3/bin/larch", line 11, in <module> load_entry_point('xraylarch==0.9.46', 'console_scripts', 'larch')() File "/Users/jterry/anaconda3/lib/python3.7/site-packages/pkg_resources/__init__.py", line 489, in load_entry_point return get_distribution(dist).load_entry_point(group, name) File "/Users/jterry/anaconda3/lib/python3.7/site-packages/pkg_resources/__init__.py", line 2852, in load_entry_point return ep.load() File "/Users/jterry/anaconda3/lib/python3.7/site-packages/pkg_resources/__init__.py", line 2443, in load return self.resolve() File "/Users/jterry/anaconda3/lib/python3.7/site-packages/pkg_resources/__init__.py", line 2449, in resolve module = __import__(self.module_name, fromlist=['__name__'], level=0) File "/Users/jterry/anaconda3/lib/python3.7/site-packages/larch/__init__.py", line 50, in <module> from . import builtins File "/Users/jterry/anaconda3/lib/python3.7/site-packages/larch/builtins.py", line 33, in <module> from . import epics File "/Users/jterry/anaconda3/lib/python3.7/site-packages/larch/epics/__init__.py", line 9, in <module> import epics File "/Users/jterry/anaconda3/lib/python3.7/site-packages/epics/__init__.py", line 29, in <module> from . import ca File "/Users/jterry/anaconda3/lib/python3.7/site-packages/epics/ca.py", line 761, in <module> dbr.access_rights_handler_args) File "/Users/jterry/anaconda3/lib/python3.7/site-packages/epics/dbr.py", line 339, in make_callback return ctypes.CFUNCTYPE(None, args)(func) File "/Users/jterry/anaconda3/lib/python3.7/ctypes/__init__.py", line 99, in CFUNCTYPE class CFunctionType(_CFuncPtr): TypeError: item 1 in _argtypes_ passes a struct/union with a bitfield by value, which is unsupported. I think that line 11 is: load_entry_point('xraylarch==0.9.46', 'console_scripts', 'larch')() Any ideas on how to address this issue? Thanks, Jeff Jeff Terry Professor of Physics, Illinois Institute of Technology terryj(a)iit.edu

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X-ray analysis books available if you want them
by Mike Massey 08 Jan '20

08 Jan '20

Hi all, I have a small selection of x-ray books I'm happy to give you if you want them. Please contact me privately if you do. I'd rather give them away to a good home than send them to book heaven. Koningsberger and Prins, X-Ray Absorption Attwood, Soft X-rays and Extreme Ultraviolet Radiation Stohr, NEXAFS Spectroscopy Stock, MicroComputed Tomography RIMG vol 18, Spectroscopic Methods in Mineralogy and Geology ...And maybe one or two more. Kind Regards, Mike

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Installation problems on MacOS catalina, macports
by Ricardo Faccio 30 Dec '19

30 Dec '19

Dear all I followed al the instructions in https://bruceravel.github.io/demeter/documents/SinglePage/macinstallation.h…. In principle, I got a clean installation without errors. But when running athena I get: MacBook-Pro-de-Ricardo:~ rfaccio$ athena Can't locate Demeter/Here.pm in @INC (you may need to install the Demeter::Here module) (@INC contains: /Library/Perl/5.18/darwin-thread-multi-2level /Library/Perl/5.18 /Network/Library/Perl/5.18/darwin-thread-multi-2level /Network/Library/Perl/5.18 /Library/Perl/Updates/5.18.4 /System/Library/Perl/5.18/darwin-thread-multi-2level /System/Library/Perl/5.18 /System/Library/Perl/Extras/5.18/darwin-thread-multi-2level /System/Library/Perl/Extras/5.18 .) at /opt/local/bin/athena line 7. BEGIN failed--compilation aborted at /opt/local/bin/athena line 7. Any hint will be appreciated. Best regards Ricardo -- ------------------------------------------------------------------------- Dr. Ricardo Faccio Prof. Agregado de Física (Assoc. Prof.) Mail: Área Física, DETEMA, Facultad de Química, Universidad de la República Av. Gral. Flores 2124, C.C. 1157 C.P. 11800, Montevideo, Uruguay. E-mail: rfaccio(a)fq.edu.uy Phone: (+598) 2924 9859 (+598) 2929 0648 Fax: (+598) 2924 1906 Web: http://cryssmat.fq.edu.uy/ricardo/ricardo.htm

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Re: [Ifeffit] Ifeffit Digest, Vol 202, Issue 8
by Christopher Chantler 17 Dec '19

17 Dec '19

Dear Fred and Matt, thanks for raising the notice for the IUCr 2020 in Prague. We [XAFS, CXAFS] have a strong list of speakers and XAFS sessions, together with all the Crystallography sessions. We also have a tutorial workshop the day before the Congress at the venue, which is free [with registration for the Congress] and especially for early career researchers, crystallographers finding out about XAS and students. We have been awarded two keynote speakers on XAS, together with nine XAS and XAS-related Microsymposia, including Fred's one: 1) Advanced Methods for analysis of XAFS and Crystallographic data 2) Spectroscopy applied to electrochemistry: operando studies 3) Catalysis: functionalized materials studied by XRD and XAFS 4) XAS and crystallography allied for geomaterials and environmental problems 5) Disordered materials: spectroscopic and scattering techniques 6) Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction 7) X-ray spectrometry and X-ray diffraction in Art and Archaeology 8) 4th generation SR and XFEL Facilities 9) Combining x-ray diffraction and spectroscopy to characterize materials We welcome all submissions, abstracts etc. and hope this will be a great programme. Prague is also a beautiful place. Very best wishes to everyone... Particular thanks to Giuliana, Sofia, Dibyendu, Valerie and all the session chairs. -------------------------------------------------------------------------------------- Christopher Chantler, Professor, FAIP, Fellow American Physical Society Editor-in-Chief, Radiation Physics and Chemistry Chair, International IUCr Commission on XAFS; CIT, CCN IPP, International Radiation Physics Society School of Physics, University of Melbourne Parkville Victoria 3010 Australia +61-3-83445437 FAX +61-3-93474783 chantler(a)unimelb.edu.au<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> chantler(a)me.com<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/xrayopt/xrayopt.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> http://optics.ph.unimelb.edu.au/~chantler/home.html<https://owa.unimelb.edu.au/owa/redir.aspx?C=c7BoS0kVVkC1_S95-9x9l5cBu6YTjdA…> ________________________________ From: Ifeffit <ifeffit-bounces(a)millenia.cars.aps.anl.gov> on behalf of ifeffit-request(a)millenia.cars.aps.anl.gov <ifeffit-request(a)millenia.cars.aps.anl.gov> Sent: Wednesday, 18 December 2019 4:07 AM To: ifeffit(a)millenia.cars.aps.anl.gov <ifeffit(a)millenia.cars.aps.anl.gov> Subject: Ifeffit Digest, Vol 202, Issue 8 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. IUCR conference 202 prague (Mosselmans, Fred (DLSLtd,RAL,SCI)) 2. La-Oxide La K edge reference spectrum (Benedikt Eggert) 3. Re: La-Oxide La K edge reference spectrum (Barton, David (DG)) ---------------------------------------------------------------------- Message: 1 Date: Tue, 17 Dec 2019 07:53:14 +0000 From: "Mosselmans, Fred (DLSLtd,RAL,SCI)" <fred.mosselmans(a)diamond.ac.uk> To: "'ifeffit(a)millenia.cars.aps.anl.gov'" <ifeffit(a)millenia.cars.aps.anl.gov> Subject: [Ifeffit] IUCR conference 202 prague Message-ID: <AM0PR01MB62282DF052E6E196004245A4A3500(a)AM0PR01MB6228.eurprd01.prod.exchangelabs.com> Content-Type: text/plain; charset="us-ascii" Please excuse this email, but I'd like to draw your attention to the IUCR congress<https://www.xray.cz/iucr/> in Prague next year, (August 22 -30). I'd like to draw your attention to a session I am co-chairing with Annalisa Martucci entitled "XAS and crystallography allied for geomaterials and environmental problems."<https://www.xray.cz/ctfc/chairs-speakers.asp?id=61> Professors Rizlan Bernier-Latmani and Giuseppe Cruciani will be our invited speakers. The abstract deadline for talks is 31/3/2020, while for posters it is 30/6/2020. (The International XAFS Society is affiliated to the IUCR and thus a number of the congress sessions are based on the use of X-ray Absorption Spectroscopy.) Regards Fred Mosselmans Principal Beamline Scientist I20 Diamond Light Source Ltd Diamond House Harwell Campus Didcot OX11 0DE P + 44 1235 778568 M + 44 7419362123 E fred.mosselmans(a)diamond.ac.uk orcid.org/0000-0001-6473-2743 -- This e-mail and any attachments may contain confidential, copyright and or privileged material, and are for the use of the intended addressee only. If you are not the intended addressee or an authorised recipient of the addressee please notify us of receipt by returning the e-mail and do not use, copy, retain, distribute or disclose the information in or attached to the e-mail. Any opinions expressed within this e-mail are those of the individual and not necessarily of Diamond Light Source Ltd. Diamond Light Source Ltd. cannot guarantee that this e-mail or any attachments are free from viruses and we cannot accept liability for any damage which you may sustain as a result of software viruses which may be transmitted in or with the message. Diamond Light Source Limited (company no. 4375679). Registered in England and Wales with its registered office at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

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La-Oxide La K edge reference spectrum
by Benedikt Eggert 17 Dec '19

17 Dec '19

Hello all, Has someone a reference XAS spectrum of La2O3 at the La K edge in his repository? Thanks a lot in advance for your help. Best regards, Benedikt -- -------------------------------------------------------------------- M.Sc. Benedikt Eggert Fakultät für Physik - AG Wende Universität Duisburg-Essen, MD 450 Lotharstraße 1, 47057 Duisburg, Germany Benedikt.Eggert(a)uni-due.de Tel.: +49203/379-2389 --------------------------------------------------------------------

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