January 2025 - Ifeffit - millenia.cars.aps.anl.gov

Query: abnormal FT-EXAFS peak at ~1.1A
by Huaming 18 Dec '25

18 Dec '25

Hello! I faced an issue with fitting of FT-EXAFS data (Rh@zeolite) with Artemis. There is one distinct peak located at ~1.1 angstron. The intensity is comparable to the nearby peak of Rh-O scattering. I wonder the peak (~1.1A) is a real peak or just noise. Raw data is enclosed. Another question is why S02 can be negative in data fitting with Artemis. Cheers, Huaming

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Athena - LCF component export error
by miranda.vu＠lightsource.ca 10 Mar '25

10 Mar '25

Hi, I am having an issue with the export of LCF data in Athena version 0.9.26. When I export the .lcf of files, it will re-order the components without properly re-ordering the associated data columns. The data and components will plot correctly in Athena before exporting. Is this something that can be fixed? Or if not would it be possible for me to get version 0.9.24 if you still have a copy of it? Please let me know if there is any additional information that I can provide. Thanks, Miranda

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Athena .dat file
by Raspante, Fabio 01 Feb '25

01 Feb '25

Hi, I worked on some data and I aligned them properly before to do any comparison. I also checked the alignment by plotting all the data together. After that I exported the data to have a file usable on Origin (the .dat format) but the problem is that after plotting the data on Origin, they are not aligned anymore. Specifically one group of data is not aligned to the others. Do you know what could be the problem? And how can I solve it? Many thanks, Fabio

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Looking for a beamline scientist-KIT Light Source, Germany
by Vitova, Tonya (INE) 31 Jan '25

31 Jan '25

Dear all, We are looking for a beamline scientist with a focus on our X-ray emission spectrometer at the ACT station, CAT-ACT beamline at the KIT Light Source, Germany. Please note that the position is initially for two years; however, we are strongly committed to extending it and offering a long-term perspective. https://www.pse.kit.edu/english/karriere/joboffer.php?id=164749 Unlike a classical user operation, the beamline scientist will support our own projects and collaborative projects. Thank you for applying or forwarding the opening to suitable candidates. All the best, Tonya Vitova -----Original Message----- From: ifeffit-request(a)millenia.cars.aps.anl.gov <ifeffit-request(a)millenia.cars.aps.anl.gov> Sent: Freitag, 31. Januar 2025 07:00 To: ifeffit(a)millenia.cars.aps.anl.gov Subject: Ifeffit Digest, Vol 275, Issue 6 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe 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. Help with constrains (Otal Eugenio) 2. Re: Help with constrains (Matt Newville) ---------------------------------------------------------------------- Message: 1 Date: Thu, 30 Jan 2025 18:48:18 +0900 From: Otal Eugenio <eugenio_otal(a)shinshu-u.ac.jp> Subject: [Ifeffit] Help with constrains To: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> Message-ID: <CAEzOxfgjTtpfBg6bYP87pmTiQ2=otSfBVc3NAD8PNwx+z1wAUQ(a)mail.gmail.com> Content-Type: multipart/alternative; boundary="00000000000088cc25062ce95500" Hi all, I am experiencing an issue with CN and sigma2, which are correlated. My CN value is too high, and I would like to reduce it to see if I can improve the fit. I have three questions: 1. Are constraints a viable option? If not, could you clarify the alternatives? 2. The examples I found are in Python, but I am using the GUI. How should I correctly define a constraint? GPT suggested the following: max(4, 12 * exp(-sigma2_O232 / 0.02)), is it correct? 3. I attempted to apply this constraint, but now I cannot delete it. Restarting Larch for each value is not a practical solution. How can I modidy the constraint efficiently? Thank you for your help! Best regards,

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Help with constrains
by Otal Eugenio 30 Jan '25

30 Jan '25

Hi all, I am experiencing an issue with CN and sigma2, which are correlated. My CN value is too high, and I would like to reduce it to see if I can improve the fit. I have three questions: 1. Are constraints a viable option? If not, could you clarify the alternatives? 2. The examples I found are in Python, but I am using the GUI. How should I correctly define a constraint? GPT suggested the following: max(4, 12 * exp(-sigma2_O232 / 0.02)), is it correct? 3. I attempted to apply this constraint, but now I cannot delete it. Restarting Larch for each value is not a practical solution. How can I modidy the constraint efficiently? Thank you for your help! Best regards,

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Re: Larch 2025.1.1
by Cameron Mollazadeh 15 Jan '25

15 Jan '25

Hi Matt, I saw the feedback you requested for Larch and was wondering if we could have both of those options 1 and 2. Thank you! 1. Should we have a monthly Zoom meeting (maybe alternating time of day) as “Office Hours” ? 2. Should we send a survey of user needs and desires for features, recommendations, etc? (for reference) Best, Cameron

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XRFMap Viewer not opening - India Reddell
by India Reddell 14 Jan '25

14 Jan '25

Good afternoon, I was hoping to get some help accessing the XRFMap viewer on my computer. I downloaded Larch for Windows from the binary installer and was able to get the folder with all the software onto my computer. However, when I try to open the XRFMap viewer the only thing that pops up is a terminal with a error message. [image: Screenshot 2025-01-10 121622.png] Then it closes and nothing happens. Would y'all happen to know what's going on and how I can fix it? I am trying to fix up the maps I have collected from NSLS-II. Thank you! Best, -- *India Reddell* Environmental Engineering | U4 Texas A&M University

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Larch 2025.1.1
by Matthew Newville 14 Jan '25

14 Jan '25

Hi Folks, Larch version 2025.1.1 has been released. This fixes a serious issue for generating Feff data files, and a few other issues too. It had been more than a year since fresh binary installers were made, so those have been updated too. As always, suggestions and feedback are welcome. Since this is the first release of the year, and since we have an XAFS Conference and Q2XAFS meeting coming up this summer in Chicago (July 14-20), I encourage people to think about what they would like to see for these and other tools for XAFS and related work. And also: think about coming to the conference ;). For those interested, we’ll restart monthly meetings to discuss the development of these tools later this month (probably January 24, probably 9 AM Chicago time). This is not development-only, but often about feature requests, complaints about the GUIs, and ideas. If you are interested, let me know, and I’ll happily add you to the invite list for that Zoom call. We would like to hear feedback on: 1. Should we have a monthly Zoom meeting (maybe alternating time of day) as “Office Hours” ? 2. Should we send a survey of user needs and desires for features, recommendations, etc? If you have opinions on any of these topics, let me know either here or by direct email. --Matt

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Larch version 2025.1.1 deglitching seems not to work
by Mangold, Stefan (IPS) 13 Jan '25

13 Jan '25

Dear all I have just installed the newest version on my Mac. I tried to deglitch some of my data and can nicely remove the glitch from the data in the visualization. if I try to save the data, it just saves the data unchanged. Tried this several times and restarted larix several times. there is also still a bug in the loading dialog. If I try to load my data in transmission I choose „log“ and „Ioni1“ and „Ioni2“. If I load again files the software remembers correctly the "Ioni1“ and „Ioni2“, but „-log“ is selected. (Spec-like files) best regards Stefan

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Problem installing Demeter
by Amy Shober 12 Jan '25

12 Jan '25

Hi all, I had to have my IT folks completely wipe my computer. They updated me to Windows 11 enterprise edition. I previously had Demeter installed so that I could use Athena. We were able to download the Demeter Version 0.9.26 installation package. However, it did not actually install the programs on my computer. And in the folder DemeterPerl, the only application I can launch is "unisn000". I see an icon for Demeter (ICO file) but when I click it, I only see a little thumbnail image. I'm guessing this is an icon file. Can someone help? Amy -- Amy L. Shober, Ph.D. Professor and Extension Specialist - Nutrient Management and Environmental Quality *Associate Chair - Department of Plant and Soil Sciences* 531 South College Avenue 152 Townsend Hall University of Delaware Newark, DE 19716 Phone: (302) 831-2146 Fax: (302) 831-0605 Email: ashober(a)udel.edu Website: https://urldefense.us/v3/__http://sites.udel.edu/canr-nmeq/__;!!G_uCfscf7eW…

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