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

Artemis\Plot mismatch\Artemis[Plot]&Artemis [Feff] Atoms and Feff
by Huaming 11 Jan '21

11 Jan '21

Dear all, I am using Artemis for EXAFS data fitting and found that the |χ(R)| plot shown in "Artemis [Plot]" and "Artemis [Feff] Atoms and Feff" are in great difference for a same scattering path. However, the |χ(k)| plots shown in the above two windows is the same. For the plot shown in "Artemis [Feff] Atoms and Feff" window, one path is selected and 'Plot path' is clicked. For the plot shown in "Artemis [Plot]", the same path is dragged into the "Artemis window" and then transfered path and plot in R by click "Action" menu. I would like to know what is the difference of data shown in the two windows. BTW, whether it is possible to have two peaks in the |chi(R)| plot for a single scattering path? For some scatters with high-Z, the f(k) may feature multiple peaks. Thanks, All bests, Huaming Hou

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How do I create a histogram based on R-space values
by Deepak Varanasi 10 Dec '20

10 Dec '20

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How to perform normalisation and background removal of data containing L3 and L2 edges
by Deka, N. 07 Dec '20

07 Dec '20

Dear all I am a student trying to learn Athena for XAS data processing. Attached is a data file which contains L3 and L2 edge of Ru. What should be the right parameters for background removal and normalization of this data set? In the videos from Bruce Ravel, I could not find any example for such a data set containing two edges. Thank you Best Regards, Nipon Deka Leiden University

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Unable to see background and "k", "q", "R" plots for imported data
by Deka, N. 07 Dec '20

07 Dec '20

Dear all I am a new student trying to work with Athena for XAS data processing. Attached is a data file which when I import does not show the background and also Athena cannot plot "k" , "q" , "R" plots for the data. Please suggest me a possible solution. Thank you Best Regards, Nipon Deka Leiden University

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Re: [Ifeffit] Unable to see background and "k", "q", "R" plots for imported
by Mosselmans, Fred (DLSLtd,RAL,SCI) 07 Dec '20

07 Dec '20

Dear Nipon, I suspect you have read the spectrum in as XANEs if you change the data type to mu(e)(e) it should give you what you want Thanks Fred Mosslemans Message: 2 Date: Mon, 7 Dec 2020 15:26:19 +0000 From: "Deka, N." <n.deka(a)lic.leidenuniv.nl> To: "ifeffit(a)millenia.cars.aps.anl.gov" <ifeffit(a)millenia.cars.aps.anl.gov> Subject: [Ifeffit] Unable to see background and "k", "q", "R" plots for imported data Message-ID: <3088c35cdc4c4e488b2782623526d7bb(a)lic.leidenuniv.nl> Content-Type: text/plain; charset="us-ascii" Dear all I am a new student trying to work with Athena for XAS data processing. Attached is a data file which when I import does not show the background and also Athena cannot plot "k" , "q" , "R" plots for the data. Please suggest me a possible solution. Thank you Best Regards, Nipon Deka Leiden University

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Postdoctoral research opportunity in photocatalysis and x-ray spectroscopy
by Sokaras, Dimosthenis 06 Dec '20

06 Dec '20

Hello XAFS Community, We have a new postdoctoral research opportunity in the field of photocatalysis, aiming to study photocatalytic conversion of CO2 to liquid fuels. The selected candidate will be performing time-resolved and operando x-rays characterizations of photocatalytic materials in order to extract fundamental electronic-structure insights that can correlate and guide catalytic activity and photocatalysts material’s properties. An extensive part of the research will take place at LBNL/SLAC where the candidate will be developing and performing novel x-ray spectroscopy methodologies. Applicants interested in this opportunity may reach out to Junko Yano (LBNL, jyano(a)lbl.gov) and Dimosthenis Sokaras (SLAC, dsokaras(a)slac.stanford.edu) Thank you, Junko Yano and Dimosthenis Sokaras

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LARCH- XRF- fitting the spectrum
by Ana Mijo 04 Dec '20

04 Dec '20

Hello, I have images from GSECARS. I am trying to improve the background reduction by fitting the spectrum and getting new ROIs. I did a fit but I don’t manage to update the ROI’s. I tried saving to a .mca file and uploading again but I don’ t see a change. Since I come from other software I may have pre-concepts, maybe the first question is: can a new fit be done and get new (maybe cleaner) images? or Can I only work with the ROI’s from the experiment? If it can be done, how should I proceed after doing the fit to update ROI’s? I have emailed this question to Matt also (before finding this mailing list). Thanks in advance, Best regards, Ana Ana Mijovilovich Czech Republic ana_mijo(a)yahoo.com

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Pd nanoparticle K-edge XANES
by Eva Bajnoczi 30 Nov '20

30 Nov '20

Dear Mailing List Readers, I wonder if there is anyone who has and also would be willing to provide a K-edge XANES spectrum measured on Pd nanoparticles. Or to point me to a source where I can find one. Our particles most probably around 5nm, so this size-range would be ideal, but anything would be very much appreciated, as that would be a better reference than metallic Pd foil. We have got some interesting reviewer questions on a paper and to answer them a Pd nanoparticle XANES would be highly useful, but under the circumstances, it is not possible to measure it on our own in the forseeable future. Thank you for any kind of help in advance! Best regards, Eva Bajnoczi -- Bajnóczi Éva / Éva Bajnóczi tudományos munkatárs / research fellow Wigner Fizikai Kutatóközpont / Wigner Research Centre for Physics 1121 Budapest, Konkoly-Thege Miklós út 29-33. Magyarország / Hungary

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Workshop Opportunity for XAS users in the field of Biogeochemistry.
by Ritimukta Sarangi 24 Nov '20

24 Nov '20

Hello, Apologies for the mass email. SSRL, in conjunction with EMSL is organizing a Workshop titled "Spectroscopy and Modeling for Molecular Insights into Environmental Processes" on 26, Jan 2021. The main focus is to encourage and provide help in getting started with the use of theory and modeling (such as DFT and MD) in the interpretation of EXAFS/XAS data. Please find more information in the event flyer below: https://www.dropbox.com/s/vvshxqpji4yok2s/SSRL_EMSL_Workshop_Flyer.pdf?dl=0 We encourage interested users and research groups to register and attend the workshop. Looking forward to your participation. Best regards, Riti Sarangi SSRL

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Two phases EXAFS fitting-help
by Chen, Danting 10 Nov '20

10 Nov '20

Hi Mr/Ms, I have a sample and get a two major phases result by linear combination analysis, one dominate 59.5% of hydrozincite( and another is 33.5% zinc phosphate (. I would like to use Artemis to fit the k-space and the first shell of R-space. For R-space, my idea is to fit the first Zn-O shell since both dominate phases are both tetrahedral and octahedral coordination and the first shell is the similar environment. For k-space, shall I fit each phase with the sample individually and then sum the different weight of fitting curve together to see how it fit finally? If it is right, may I ask how exactly it fits? I have no idea how the weight is set in Artemis or it can only be summed half by half? Also, since my sample numbers are only two, I am unable to use PCA to fit. Except the above mentioned, is there anything else that I can do? Sorry, I am a new learner of XAS and have many things to learn. Best Wishes, Danting Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10

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