[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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