[Ifeffit] [IFEFIT]Chi(E) in version 0.9.25
Robert Gordon
ragordon at alumni.sfu.ca
Fri Sep 15 10:15:22 CDT 2017
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
> <michael.stockenhuber at newcastle.edu.au
> <mailto:michael.stockenhuber at 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 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
> <http://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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