[Ifeffit] Difficulty with normalization of XAS spectra

[jesse walters]

Dear Robert,

Apologies, the large h5 files were how the data were sent to me. I figured
out how to export a single csv file, which is attached.
Unfortunately, these data were collected without my input and I am trying
to help the student make the data usable if possible. For my own projects I
collected Fe K edge XAS spectra from 7000 to 7350 eV. I have not seen all
the data from the session, but I believe the data were only collected over
the range 7100 to 7150 eV for all analyses. I guess these are not useable?

Cheers,
Jesse

On Sat, Apr 13, 2024 at 7:17 PM Robert Gordon <moyie.institute at gmail.com>
wrote:

> Two things: 1. This is a volunteer community. Asking us to download a
> massive file and parse through it to find a data file is not a reasonable
> request. Pick an example and attach it as a txt file (energy, mu(E) or E,
> I0, IF ). In fact, since
> ZjQcmQRYFpfptBannerStart
> This Message Is From an External Sender
> This message came from outside your organization.
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> Two things:
>
> 1. This is a volunteer community. Asking us to download a massive file and
> parse through it to find a data file is not a reasonable request. Pick an
> example and attach it as a txt file (energy, mu(E) or E, I0, IF ). In fact,
> since the graph looks like the data were grossly over-sampled for XANES,
> you might want to sieve it to a more reasonable step size such as 0.1 to
> 0.3 eV through the edge. That will also help with file size.
>
> 2. If the graph you attached is representative of the data, the data were
> not collected over a large enough energy range for normalisation. Next
> time, try +/- 100 - 200 eV below and above the edge (maybe 250 above).
>
> -R.
>
> On 2024-04-10 5:22 a.m., jesse walters 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
> ZjQcmQRYFpfptBannerStart
> This Message Is From an External Sender
> This message came from outside your organization.
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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!fBIOzph-Db3ioZGTdqQZ83ckH_bkFR9tjSSpr359OiRFNixZF62emsiEQqIS4y25emWz1jQZvQjSeNOMPzqwDKMCy1IZOJZ65g$ 
> <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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-- 
Jesse B. Walters
Ambizione Fellow
Institut für Geologie
Universität Bern
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