[Ifeffit] Difficulty with normalization of XAS spectra

Matt Newville newville at cars.uchicago.edu
Mon Apr 15 12:13:20 CDT 2024


Hi Jesse,

OK, I think this is now fixed in the development version.
If you're up for it, you can install the latest version (updated daily) by
finding the Python for your xraylarch installation (maybe
C:\Users\yournamae\xraylarch\bin\python) and doing

    python -m pip install
https://urldefense.us/v3/__https://millenia.cars.aps.anl.gov/xraylarch/downloads/xraylarch-latest-py3-none-any.whl__;!!G_uCfscf7eWS!eo1MYVGYChGZ8xhX8-NpgYBrM-O05XDU41Ay4lA0CkG9978sopUg5hJcpeis-R1i5R8kfH55Y-KObTDIn3fwa-yf9KGbhVWtT7ETsSw$ 



On Sat, Apr 13, 2024 at 10:29 AM jesse walters <thegeojesse at gmail.com>
wrote:

> Hi all, I have some spectra collected by a collaborator, Francesco
> Ressico, a PhD student at Uni Bologna,  (see attached .h5 file below) and
> we are having trouble normalizing the Fe K edge spectra. The data are for
> serpentine group minerals
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> Hi all,
>
> I have some spectra collected by a collaborator, Francesco Ressico, a PhD
> student at Uni Bologna,  (see attached .h5 file below) and we are having
> trouble normalizing the Fe K edge spectra. The data are for serpentine
> group minerals and were collected in fluorescence mode. In the attached
> file, the correct X array value is 'energy_enc', the data type is 'xas',
> and the y array should be 'mu_fluo_det0'. The spectra are already
> normalized for the incoming beam energy (although this can also be done
> using 'flou_det0/i0'). There are multiple spectra in the file, any one of
> them can be chosen to test the procedure.
>
> After loading the spectra, I am able to plot the raw spectra correctly
> (see attached). But when I try to normalize the pre and post edge regions
> and plot the normalized spectra, the software only gives a blank plot. I
> have tried changing the normalization type, polynomial type, range, etc for
> both the pre and post edge, but nothing seems to work. I also tested
> different spectra, but with similar results.
>
> Does anyone have suggestions for how these data can be normalized?
>
> The h5 file is too large, so here is a dropbox link
> https://urldefense.us/v3/__https://www.dropbox.com/scl/fi/d8k5s67vli0mq97ac520y/COR21_79_Xastransect_79_F1_THC.h5?rlkey=33ragg4p6x9rx65t9yvi5kewe&dl=0__;!!G_uCfscf7eWS!eo1MYVGYChGZ8xhX8-NpgYBrM-O05XDU41Ay4lA0CkG9978sopUg5hJcpeis-R1i5R8kfH55Y-KObTDIn3fwa-yf9KGbhVWtR3zz5X4$ 
> <https://urldefense.us/v3/__https://www.dropbox.com/scl/fi/d8k5s67vli0mq97ac520y/COR21_79_Xastransect_79_F1_THC.h5?rlkey=33ragg4p6x9rx65t9yvi5kewe&dl=0__;!!G_uCfscf7eWS!btLKhnEiyp5gMQfSDnHdxqgt2ie5vcVHW7e142vokJ-wEX6zZSIOcAyHsf5THg9ZlyyIsx7Vfm27ycKWAQg1_cysDdnW65aCQA$>
>
> Sincerely,
> Jesse Walters
>
> --
> Jesse B. Walters
> Ambizione Fellow
> Institut für Geologie
> Universität Bern
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-- 
--Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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