April 2021 - Ifeffit - millenia.cars.aps.anl.gov

millenia.cars.aps.anl.gov outage starting April 29
by Matt Newville 29 Apr '21

29 Apr '21

Hi Folks, The server millenia.cars.aps.anl.gov that hosts this mailing list and related services including Webatoms and the binary installers for Larch will be offline due to a planned power outage at the APS. We'll gracefully shut down this server on the afternoon (Chicago time) of April 29th, a bit more than 24 hours from now. The estimate for restoring power is May 4th, but it is possible that the outage will go for another day or so. During that time, any messages sent to this list are likely to be lost. In the meantime, please do consider submitting an abstract for the Virtual XAFS Conference! --Matt PS: if you need to contact me directly by email that will (or should) still work during the APS power outage.

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Larch 0.9.51
by Matt Newville 27 Apr '21

27 Apr '21

Hi Folks, Larch 0.9.51 is now available for download and use. It's been several months since the last release, and there have been some important improvements to XAFS data processing and to the XAS Viewer application: - Parameters saved in an Athena Project File are now correctly saved and read into XAS Viewer (thanks Tyler Valentine!) - There is now a simple "Apply to all marked groups" feature for pre-edge peak fitting. That is, you can define a pre-edge peak model with one data set and then apply it to many others, either inspecting the individual fits or saving a CSV file with all the parameters and uncertainties for each fit to each data set. - XAS Viewer can now import multiple scans from a Spec file (thanks Mauro Rovezzi for help with this). It may seem that Specfiles are "legacy", but the reader should also be able to handle the ESRF Bliss HDF5 files (as read in with the silx package, from ESRF), which is their way of efficiently stacking multiple scans into a single binary file. While support for this here should be considered "beta" (or maybe "alpha"!), it is also reasonable to expect that this or a similar HDF5 format file will become a common way to collect and store XAFS data. - There are binary installers for Windows, MacOSX, and Linux. There are also now "GetLarch.sh" and "GetLarch.bat" scripts (that are very short) that can be run to do the download and install, essentially mimicking what the binary installer does. This may be useful for folks wanting to install Larch on multi-user servers or in existing (or "other") Python environments. This might also be useful for those who run into permissions issues, especially on MacOS, where installing a package from an untrusted source is often blocked by default. With the installer script, the unprivileged user is simply running a script that downloads a bunch of files and places them in the home folder. These scripts might also be useful for those who run into problems downloading very large files from millenia.cars.aps.anl.gov, as the installer scripts will use Anaconda and PyPI resources that are better distributed throughout the world. ... which brings me to a final note (I'll send out another message next week): The APS will have a planned power outage from April 30 to May 4 . This will take millenia.cars.aps.anl.gov off-line for those 5 +/- 1 days. That machine hosts the binary installers and also this mailing list. Mail sent to this list during that time will likely be lost (email routing servers can handle destination servers being down for a few hours, but not days). So, if you're planning on sending announcements here, either do it before April 29 or wait until May 5. If you have any questions, problems, or suggestions, please let me know. --Matt

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Fourier transform parameters not saved in Larch XAS Viewer
by Tyler Valentine 19 Apr '21

19 Apr '21

Hello, I am using Larch XAS Viewer. I noticed that when I save my work to an Athena project file (.prj) and reopen it later, the Fourier transform parameters are reset. It seems to be correctly saving other values that I set such as the pre-edge and normalization ranges, so I am unsure why it does not also save the transform parameters. Is it possible to have these values saved? Thank you, Tyler

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XAFS 2021 Virtual Conference deadlines
by Matt Newville 19 Apr '21

19 Apr '21

Hi Folks, I hope most of you have seen information about the 2021 Virtual XAFS Conference this summer: https://xafs2021.org/ There will be an in-person conference in the summer of 2022 in Sydney and a briefer, virtual conference this summer: 11-13 July 2021. I especially want to draw your attention to the Virtual Poster session for students and early-career scientists. The abstract deadline is 1 May, a little less than two weeks from now: see https://xafs2021.org/call-for-abstracts.php for details. Please consider submitting a poster or encouraging your colleagues to do so. There will also be a Virtual Workshop on Data Analysis with Larch: I'll be pre-recording lectures, and then going over some of the finer details of using XAS Viewer and doing simple XAFS analysis during the workshop. Hope to see you there, --Matt Newville <newville at cars.uchicago.edu> 630-327-7411

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Looking for the XAS of Zn3P2
by Madeleine Han 16 Apr '21

16 Apr '21

Dear Ifeffit community, I am looking for the X-ray absorption spectrum of Zn3P2 to use as a reference to determine the composition of an unknown compound. Does anyone know if it has already been recorded? If so, where can I find it? Thank you in advance for your help, Yours sincerely Madeleine Han

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