Re: [Ifeffit] XAS Data pre-processing

Hi Matt, Thank you for your assistance. Helpful. Kind regards, Kumar On Mon, 24 Apr 2023 at 02:24, Matt Newville 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 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

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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.​