August 2026 - Ifeffit - millenia.cars.aps.anl.gov

Larch 2026.3.1
by Matthew Newville 17 Aug '26

17 Aug '26

Hi Folks, Larch 2026.3.1 is now available and will be shown for automated updates when you run Larix. Some release notes are at https://urldefense.us/v3/__https://github.com/xraypy/xraylarch/releases__;!… Some of the highlights include: 1. Larix: - many fixes for copying E0, edge_step, and other normalization parameters between groups, and when creating new groups from the "analysis tasks". - the 'selected' list of groups in Larix can now be inverted or sorted alphabetically. - files can be 'dropped' onto the file list to open them. - cleanups for pre-edge and curve-fitting to save all results. 2. For all GUIs using wxPython (Larix, XRFMap Viewer, XRF Display), 'Dark Mode' on Windows is much improved, and basically works. That is, if your system is using Dark Mode, launching these apps will show in Dark Mode, with most (hopefully all) widgets and displays showing decent colors and contrast between text and background. On Windows, the apps will not automatically change when the system changes between Dark and Light mode -- the mode is set at startup. On MacOS, the apps do respond to system changes. Dark mode should be considered 'beta', and feedback about poorly working components is welcome and helpful. 3. Converting Larch examples from 'larch language' to Python. We're working to de-emphasize the Larch Language from the code, examples, and documentation, and emphasize using Python. Many more examples and discussions in the documentation use Python, including all of the XAFS documents. This work is still in progress, and will be for some time. 4. Sitka Spruce: if you do a fresh install or do an update and then redo 'larch -m' (hint: use the Terminal from the Jupyter Lab), a new application called "SItka" will appear in your Larch applications folder. Sitka (https://urldefense.us/v3/__https://xraypy.github.io/sitka-spruce/__;!!G_uCf… ) is a viewer for HDF5 data, which many synchrotrons are adopting widely. There are many options for viewing HDF5 files, but I (and others in our group) kept being disappointed in these, especially for high-quality visualization (plots and images), for being able to extract data arrays from the files, and also for the support for HDF5 files written by Epics area detectors. Sitka is a relatively new project, but I'm hoping to make it available to help read complex or even 'unusual' XAS-like data into Larch and Larix. For those interested, we'll also include support for the NeXuS nxXAS definition. Comments and feedback are most welcome. 5. Several fixes for the RIXS GUI and conflicts between Jupyter and the wx and qt GUI backends were fixed too. Thanks to all who contributed with bug reports, Issues, and Pull Requests. Please let us know if anything is not working, and also if you have any suggestions for improvements, enhancements, or new features. --Matt

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PhD Opportunity — Coupling X-ray Raman and optical Raman spectroscopy for CO₂ capture (ESRF/Diamond/Bath)
by Higgins, Luke (DLSLtd,RAL,SCI) 17 Aug '26

17 Aug '26

Dear all, For those with students interested in joining the European synchrotron spectroscopy community, we have an exciting doctoral opportunity to integrate optical and X-ray Raman scattering to study CO₂ capture materials. The student will primarily be based at ID20, ESRF but with frequent trips to the Diamond Light Source soft X-ray microscope (I08) and the University of Bath. International fees have been waived, so international students are welcome to apply. The application deadline is 30.09.2026. We would be very grateful if you could share this with anyone who might be interested. Details below. Best wishes, Luke -------------------------------------------------------------- Project: Coupling X-ray Raman and optical Raman spectroscopies for improved understanding of atmospheric CO₂ capture<https://urldefense.us/v3/__https://esrf.gestmax.eu/1999/1/phd-thesis-studen… > Host: ESRF (Beamline ID20), Grenoble, France, with secondments to the University of Bath and to Beamline I08 (soft X-ray spectromicroscopy) at Diamond Light Source, UK. Supervisors: Dr Christoph Sahle (ESRF), Dr Luke Higgins (Diamond Light Source), Dr Matthew E. Potter (University of Bath) Summary: This 3-year, fully funded PhD (starting 4 January 2027) will probe the electronic interactions between CO₂ and amine-based sorbent materials for industrial carbon capture, combining X-ray Raman scattering, optical Raman spectroscopy, and computational electronic structure calculations. The aim is to reveal binding mechanisms and degradation pathways that are invisible to conventional characterisation methods, informing the design of more durable and efficient capture materials. The successful candidate will gain hands-on experience across material synthesis, carbon capture testing, spatially-resolved X-ray imaging, and computation — training suited to careers in academia, large-scale facilities, or industry. Key details: * Ref: NS26-ESRF02 * Salary: 33.4 K€ * Enrolment: Doctoral school, University of Bath * Deadline: 30 September 2026 * Note: subject to the Marie Skłodowska-Curie mobility rule (candidates must not have resided/worked in France for more than 12 months in the 3 years prior to the deadline) Full details and application: https://urldefense.us/v3/__https://esrf.gestmax.eu/1999/1/phd-thesis-studen… Informal enquiries: * Matthew Potter — mep61(a)bath.ac.uk<mailto:mep61@bath.ac.uk> 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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larix data import issues
by yi.yang4＠rmit.edu.au 10 Aug '26

10 Aug '26

Hi, This is Yi from RMIT university. I have been new to larix/larch and I just started to import recently collected XDI data into larix. I noticed that when I tried to batch import the data, saying 10 or 20 spectra or more at a time, they just show up in larix spectra list window in random sequence. it is a bit annoying to resequencing the spectra back to original order or just read one spectra at a time when there are many spectra. I have tried to search the reason and solutions online but did not find any information regarding this. I am wondering if any one has experienced the same issue and have a solution? Kind regards Yi

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issue with XAS energy alignment in Larix
by alexeyboubnov＠gmail.com 10 Aug '26

10 Aug '26

Hi Matt, I am testing Larix on Windows 11, as a replacement for Athena on an older computer, for a standard XAS workflow and have encountered an issue with energy calibration/alignment. Individual XAS spectra, each containing a sample spectrum and a simultaneously measured reference foil channel, are imported simultaneously. There are two issues: 1. Energy calibration: The calibration workflow does not seem to work in the same way as in Athena. It would be very useful if the Athena principle could be retained: select the maximum of the reference spectrum derivative, assign the tabulated reference energy, and use this to calibrate the spectrum. 2. Energy alignment: More importantly, I can align the reference spectra to a calibrated reference spectrum without problems. However, the corresponding sample spectra do not shift/alignment together with their respective reference spectra. I have also tried manually applying the same energy shift to each sample spectrum that was determined for its corresponding reference, but this does not produce the expected alignment. In other words, the reference channels align correctly, while the corresponding sample data remain misaligned. I would be happy to provide a small set of example files or a test dataset if that would help reproduce the problem. 3. Usability suggestion, besides the existing Select All and Select None buttons, an Invert Selection button would be very helpful. In particular, when working with groups containing both sample data and reference spectra, this would make it much easier to switch between selecting the data and selecting the references. Thanks a lot for all your efforts to get the XAS programs to run smoothly! Best regards, Alexey

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