[Ifeffit] XAS Data pre-processing

[Matt Newville]

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*
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-- 
--Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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