[IFEFIT]Chi(E) in version 0.9.25
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.stockenhuber@newcastle.edu.aumailto:Michael.stockenhuber@newcastle.edu.au President Catalysis Society of Australia www.catalysis.org.auhttp://www.catalysis.org.au Co-chair ACEME 2018 https://www.aiche.org/aceme2018 Co-chair ISHHC 2018 http://www.ishhc17.org
Hi Michael, On Fri, Sep 15, 2017 at 8:21 AM, Michael Stockenhuber < michael.stockenhuber@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
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
mailto:michael.stockenhuber@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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Dear all,
Thank you very much for the great suggestions.
Cheers
Michael
From: Ifeffit [mailto:ifeffit-bounces@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
participants (3)
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Matt Newville
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Michael Stockenhuber
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Robert Gordon