[Ifeffit] Ifeffit Digest, Vol 157, Issue 1

Matteo Busi basebush at gmail.com
Mon Mar 7 05:50:12 CST 2016


> Hi Mateo,

> I'm not quite clear on what you are asking for.  Do you want an ascii
> output file that has a column containing chi(E) using the energy grid of
> the original data?

> If so, would it suffice to add a column to the mu(E) ascii output file?
>  That seems to me like a natural solution.

>Cheers,
>B

Hi Bruce

I would like to have an output file containing chi(E) and mu(E) using the
same
energy (E) grid.
If I export them separately ( the only available thing right now) they have
different energy
grid.

Thanks and Regards

2016-03-04 15:18 GMT+01:00 <ifeffit-request at millenia.cars.aps.anl.gov>:

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> Today's Topics:
>
>    1. Exporting Athena projects data (Matteo Busi)
>    2. Collected k-space and fitting range (Taehoon Kim)
>    3. Re: Collected k-space and fitting range (Scott Calvin)
>    4. Re: Exporting Athena projects data (Bruce Ravel)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Thu, 3 Mar 2016 23:53:54 +0100
> From: Matteo Busi <basebush at gmail.com>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] Exporting Athena projects data
> Message-ID:
>         <CAOyEiGi7jNury5oTAostBixxinOF+Vxcg2=
> 8Sf8VeM9rywEmrg at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Hi Bruce, hi mailing list readers.
> With the project I'm working with, it came out that would be really useful
> for me to export groups in both .xmu and .chi .
> More in details I have to deal with a function that depends on both the chi
> and xmu data. I tried to look at all the chances and through the guide but
> I didn't find any function to do that. I was thinking of exporting
> separately the .chi and .xmu data, but they have different point of the
> Energy(eV) and that makes hard the programming of my evaluating scripts.
> Should I use the spline function to estimate the .xmu data and use it
> combined to the .chi data?
>
> Hope it's all clear. Thanks
> Best Regards,
> Matteo, UiS
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>
> Message: 2
> Date: Fri, 4 Mar 2016 01:33:07 +0000
> From: Taehoon Kim <oxonhoon at outlook.com>
> To: "ifeffit at millenia.cars.aps.anl.gov"
>         <ifeffit at millenia.cars.aps.anl.gov>
> Subject: [Ifeffit] Collected k-space and fitting range
> Message-ID: <COL131-W950068446186D15FDFE67DCCBE0 at phx.gbl>
> Content-Type: text/plain; charset="iso-8859-1"
>
> Hello,
> I am a bit confused about the range of k-space, which may affect the
> quality of EXAFS fitting. I would like to understand whether there is a
> difference between the fitting using an identical fitting range of k-space
> obtained from different range of k-space collected.
> For example, is there a notable difference between a fitting of k = 2.3-11
> which was deduced from a spectra data collected up to k=12 and a spectra
> data collected up to k=13 ?
> Kind regardsTerry
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> ------------------------------
>
> Message: 3
> Date: Thu, 3 Mar 2016 21:52:34 -0500
> From: Scott Calvin <scalvin at sarahlawrence.edu>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Collected k-space and fitting range
> Message-ID: <E2EAF91D-FEA9-42D7-82CA-A5B5D8EAB978 at slc.edu>
> Content-Type: text/plain; charset="utf-8"
>
> Hi Terry,
>
> The only possible difference would be due to differences in background
> subtraction. In practice, it?s a good idea to collect data ~1 inverse
> angstrom above the range you will analyze to make sure the background
> behaves properly toward the top of the fitted range. But beyond that it
> shouldn?t make much difference.
>
> ?Scott Calvin
> Sarah Lawrence College
>
> On Mar 3, 2016, at 8:33 PM, Taehoon Kim <oxonhoon at outlook.com<mailto:
> oxonhoon at outlook.com>> wrote:
>
> Hello,
>
> I am a bit confused about the range of k-space, which may affect the
> quality of EXAFS fitting.
> I would like to understand whether there is a difference between the
> fitting using an identical fitting range of k-space obtained from different
> range of k-space collected.
>
> For example, is there a notable difference between a fitting of k = 2.3-11
> which was deduced from a spectra data collected up to k=12 and a spectra
> data collected up to k=13 ?
>
> Kind regards
> Terry
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> ------------------------------
>
> Message: 4
> Date: Fri, 4 Mar 2016 09:16:43 -0500
> From: Bruce Ravel <bravel at bnl.gov>
> To: XAFS Analysis using Ifeffit <ifeffit at millenia.cars.aps.anl.gov>
> Subject: Re: [Ifeffit] Exporting Athena projects data
> Message-ID: <56D998CB.2010409 at bnl.gov>
> Content-Type: text/plain; charset=windows-1252; format=flowed
>
> On 03/03/2016 05:53 PM, Matteo Busi wrote:
> > Hi Bruce, hi mailing list readers.
> > With the project I'm working with, it came out that would be really
> > useful for me to export groups in both .xmu and .chi .
> > More in details I have to deal with a function that depends on both the
> > chi and xmu data. I tried to look at all the chances and through the
> > guide but I didn't find any function to do that. I was thinking of
> > exporting separately the .chi and .xmu data, but they have different
> > point of the Energy(eV) and that makes hard the programming of my
> > evaluating scripts.
> > Should I use the spline function to estimate the .xmu data and use it
> > combined to the .chi data?
>
> Hi Mateo,
>
> I'm not quite clear on what you are asking for.  Do you want an ascii
> output file that has a column containing chi(E) using the energy grid of
> the original data?
>
> If so, would it suffice to add a column to the mu(E) ascii output file?
>   That seems to me like a natural solution.
>
> Cheers,
> B
>
>
> --
>   Bruce Ravel  ------------------------------------ bravel at bnl.gov
>
>   National Institute of Standards and Technology
>   Synchrotron Science Group at NSLS-II
>   Building 535A
>   Upton NY, 11973
>
>   Homepage:    http://bruceravel.github.io/home/
>   Software:    https://github.com/bruceravel
>   Demeter:     http://bruceravel.github.io/demeter/
>
>
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>
> End of Ifeffit Digest, Vol 157, Issue 1
> ***************************************
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