Re: [Ifeffit] XAS Data pre-processing

2023-04-23 Thread Kumar Jena
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
>>
>> --
>> [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.
>> ___
>> Ifeffit mailing list
>> Ifeffit@millenia.cars.aps.anl.gov
>> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
>>
>
>
> --
> --Matt Newville  630-327-7411
> ___
> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
>


-- 
[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.​
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit


Re: [Ifeffit] XAS Data pre-processing

2023-04-23 Thread 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 
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.
> ___
> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
>


-- 
--Matt Newville  630-327-7411
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit