[Ifeffit] XAS Data pre-processing

[Kumar Jena]

Hi Matt,
Thank you for your assistance. Helpful.

Kind regards,
Kumar

On Mon, 24 Apr 2023 at 02:24, Matt Newville <newville at cars.uchicago.edu>
wrote:

> Hi Kumar,
>
> These processing steps are separate because sometimes you might want to
> alter the order. That said, here are my recommendations for normal
> processing, with the strongest recommendations first:
>
> I would not worry about choosing E0 or normalization until after merging.
>
> If you need to align scans, do that before merging.  But see below on
> "re-binning".
>
> If you need to de-glitch multiple scans, first try to figure out why and
> what energy values need to be de-glitched.  If these values are not
> consistent across scans, it may indicate that your sample is causing the
> glitches, which is not really consistent with "amorphous anatase".   If the
> glitches are consistent and at nearly the same energies, you probably want
> to de-glitch before merging.
>
> Are you certain you need to re-bin the data?  If so, you should probably
> consult with beamline scientists or people familiar with the data
> collection on whether that should be done before energy alignment.  Some
> data collection systems that generate data that needs rebinning probably
> imply that you should *not re-align* at all, but trust the energy values.
>
>
> On Sun, Apr 23, 2023 at 12:19 AM Kumar Jena <kjen296 at aucklanduni.ac.nz>
> wrote:
>
>> Hi Ifeffit community,
>> I am Kumar Jena, a PhD student at the University of Auckland. I have
>> recently collected XAS data from amorphous anatase samples. I have read and
>> seen many resources on performing data preprocessing, such as corrections,
>> energy calibrations, etc. However, my question is, is there a specific
>> order for doing so, or does it vary from data set to data sets?
>>
>> The order in which I have done it is as follows: (I have used Athena)
>>
>>    - Import > Align data sets > Choose E0 and apply for all the scans >
>>    Merge them > Deglith the merged data > Rebin > Normalize
>>
>> Please advise if it's the right way to start.
>>
>> I appreciate your time and help.
>>
>> Kind regards,
>> Kumar
>>
>> --
>> [image: University of Auckland (UOA) - WEGO-ITN]
>> *Kumar Debajyoti Jena*
>> *M.Tech (IIT Kanpur)*
>> *Ph.D. Student*
>> Department of Chemical and Materials Engineering
>> Faculty of Engineering
>> The University of Auckland
>> Mob: *(+64) 225155447*
>> *THERE IS NO PLAN*ET *B*. Please think of the environment before you
>> print this email.
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>
>
> --
> --Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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-- 
[image: University of Auckland (UOA) - WEGO-ITN]
*Kumar Debajyoti Jena*
*M.Tech (IIT Kanpur)*
*Ph.D. Student*
Department of Chemical and Materials Engineering
Faculty of Engineering
The University of Auckland
Mob: *(+64) 225155447*
*​*​*THERE IS NO PLAN*ET *B*. Please think of the environment before you
print this email.​
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