[Ifeffit] data plotting

Samy Ould-Chikh samy.ouldchikh at kaust.edu.sa
Tue Jun 28 01:52:35 CDT 2022


Hello Weronika,

I had a similar issue looking at data from the BM30 beamline.
Downgrading Athena version from  0.9.26 down to 0.9.25 solved the problem.
Although you still need to specify keV when importing.


Best Regards,
Samy Ould-Chikh

KAUST Catalysis Center
Bldg.3,Level 4, #4231
4700 King Abdullah University of Science & Technology
Thuwal 23955-6900
Kingdom of Saudi Arabia

Tel: +966 12 8084486
E-mail: samy.ouldchikh at kaust.edu.sa<mailto:eman.ahmedbahjri at kaust.edu.sa>
Website:  https://kcc.kaust.edu.sa/



From: Ifeffit <ifeffit-bounces at millenia.cars.aps.anl.gov> On Behalf Of Matt Newville
Sent: Tuesday, June 28, 2022 7:22 AM
To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
Subject: Re: [Ifeffit] data plotting

Hi Weronika,

I think that the problem is due to the fact that the data file stores data in keV so that the small increments in energy at the pre-edge look like very, very small changes if the energy is assumed to be in eV.    So, I think you may just need to specify that the data has energy units of keV rather than eV.

When I read your Fe_Kedge_falconX.... file into XAS Viewer, I also had to tell it that it was XAS data in keV, but then it read in just fine.  If I zoom in on the pre-edge peaks it shows:


[image.png]


I think that agrees with what you see.


On Mon, Jun 27, 2022 at 8:40 PM Ofierska Weronika Lucja <weronika.ofierska at erdw.ethz.ch<mailto:weronika.ofierska at erdw.ethz.ch>> wrote:

Dear all,

I am a new user of Athena and encountered some issues with data plotting.

While plotting the uXAS data for Fe K pre-edge the quality of plotting is somehow less sharp compared to the actual data I plotted using other graphical tool (see below)

[cid:image002.png at 01D88AD4.C71E6F30]

vs what I get from Athena

[cid:image003.png at 01D88AD4.C71E6F30]

As you can see the resolution of the pre-edge in Athena is so poor I cannot resolve the Fe2+/Fe3+ ratio as the peak for Fe3+ is not visible. (I plotted Bruce's data from lepidocrocite to see if it's a common problem and it seems that his data look much better than mine). During my time on synchrotron we actually spent a lot of time to resolve best resolution on the pre edge, so it's not a acquisition problem.



Does anyone have any idea how to fix this?

I am attaching the project file and txt file (plot FluoRT2 column) with the original data.



Thank you for your help,

Weronika Ofierska
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