Re: [Ifeffit] [IFEFIT]Chi(E) in version 0.9.25

[Michael Stockenhuber]

Dear all,
Thank you very much for the great suggestions.
Cheers
Michael


From: Ifeffit [mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf Of 
Robert Gordon
Sent: Saturday, 16 September 2017 1:15 AM
To: ifeffit@millenia.cars.aps.anl.gov
Subject: Re: [Ifeffit] [IFEFIT]Chi(E) in version 0.9.25

This already happens in Athena. It was requested back in 2014:
https://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg04747.html
and Bruce did include energy as a column in the exported chi file in a future 
release
(present in 0.9.26)...e.g.
# XDI/1.0 Athena/0.9.26
# Element.edge:  K
# Element.symbol:Fe
# Column.1:  k inverse Angstrom
# Column.2:  chi
# Column.3:  chik
# Column.4:  chik2
# Column.5:  chik3
# Column.6:  window
# Column.7:  energy


-R.
On 9/15/2017 6:32 AM, Matt Newville wrote:
Hi Michael,

On Fri, Sep 15, 2017 at 8:21 AM, Michael Stockenhuber 
>
 wrote:
Dear mailing list,
Is there any way to save data as Chi( E),i.e., energy one column and chi(E) in 
the 2nd column? This was possible in the past and it would be great to have 
that to be able to import into excurv.


Sure:

   ~> larch

   larch> dat = read_ascii(datafile_name)
   larch> # ... make sure you have mu(E) as  'dat.energy' and 
'dat.mu'

   larch> autobk(dat, rbkg=1.0, kweight=1)  # may want other options

   larch> write_ascii('my_chie.txt', dat.energy, dat.chie)
   larch> plot(dat.energy, dat.chie, xlabel='E (eV)', ylabel=r'$\chi(E)$')

Hope that helps,
--Matt





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Re: [Ifeffit] [IFEFIT]Chi(E) in version 0.9.25

[Robert Gordon]

This already happens in Athena. It was requested back in 2014:
https://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg04747.html
and Bruce did include energy as a column in the exported chi file in a 
future release

(present in 0.9.26)...e.g.
# XDI/1.0 Athena/0.9.26
# Element.edge:  K
# Element.symbol:    Fe
# Column.1:  k inverse Angstrom
# Column.2:  chi
# Column.3:  chik
# Column.4:  chik2
# Column.5:  chik3
# Column.6:  window
# Column.7:  energy


-R.

On 9/15/2017 6:32 AM, Matt Newville wrote:

Hi Michael,

On Fri, Sep 15, 2017 at 8:21 AM, Michael Stockenhuber 
> wrote:


Dear mailing list,

Is there any way to save data as Chi( E),i.e., energy one column
and chi(E) in the 2^nd column? This was possible in the past and
it would be great to have that to be able to import into excurv.



Sure:

   ~> larch

   larch> dat = read_ascii(datafile_name)
   larch> # ... make sure you have mu(E) as  'dat.energy' and 'dat.mu 
'


   larch> autobk(dat, rbkg=1.0, kweight=1)  # may want other options

   larch> write_ascii('my_chie.txt', dat.energy, dat.chie)
   larch> plot(dat.energy, dat.chie, xlabel='E (eV)', ylabel=r'$\chi(E)$')

Hope that helps,

--Matt



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Re: [Ifeffit] [IFEFIT]Chi(E) in version 0.9.25

[Matt Newville]

Hi Michael,

On Fri, Sep 15, 2017 at 8:21 AM, Michael Stockenhuber <
michael.stockenhu...@newcastle.edu.au> wrote:

> Dear mailing list,
>
> Is there any way to save data as Chi( E),i.e., energy one column and
> chi(E) in the 2nd column? This was possible in the past and it would be
> great to have that to be able to import into excurv.
>


Sure:

   ~> larch

   larch> dat = read_ascii(datafile_name)
   larch> # ... make sure you have mu(E) as  'dat.energy' and 'dat.mu'

   larch> autobk(dat, rbkg=1.0, kweight=1)  # may want other options

   larch> write_ascii('my_chie.txt', dat.energy, dat.chie)
   larch> plot(dat.energy, dat.chie, xlabel='E (eV)', ylabel=r'$\chi(E)$')

Hope that helps,
--Matt
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[Ifeffit] [IFEFIT]Chi(E) in version 0.9.25

[Michael Stockenhuber]

Dear mailing list,
Is there any way to save data as Chi( E),i.e., energy one column and chi(E) in 
the 2nd column? This was possible in the past and it would be great to have 
that to be able to import into excurv.
Thank you for all the help and great programs
Cheers
Michael


Prof. Michael Stockenhuber
Chemical Engineering, School of Engineering
Faculty of Engineering and Built Environment
The University of Newcastle
T  +61 2 4985 4433
F  +61 2 4921 9095
M + 61 (0) 450352239
michael.stockenhu...@newcastle.edu.au

President Catalysis Society of Australia
www.catalysis.org.au
Co-chair ACEME 2018
https://www.aiche.org/aceme2018
Co-chair ISHHC 2018
http://www.ishhc17.org

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