[Ifeffit] [IFEFIT]Chi(E) in version 0.9.25
Michael Stockenhuber
michael.stockenhuber at newcastle.edu.au
Fri Sep 15 10:47:39 CDT 2017
Dear all,
Thank you very much for the great suggestions.
Cheers
Michael
From: Ifeffit [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf Of Robert Gordon
Sent: Saturday, 16 September 2017 1:15 AM
To: ifeffit at 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 <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 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<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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