[Ifeffit] On Macro Lytle File Group

Carlo Segre segre at iit.edu
Wed Dec 8 22:24:17 CST 2010

Hi Alan:

I believe that the macros are useful only when using Ifeffit directly, not 
from Athena.  I have solved the problem by writing a short Python program 
which will convert either of the two file formats and make a new file 
which can be read in by Athena.

I have attached the python program to this message if you wish to use it.

If you have specific files that you need translated, tell me which ones 
and I can do it for you if you like.


On Thu, 9 Dec 2010, Alan Du wrote:

> Hi IFEFFIT Users,
> I major in environmental science and my research is studying the adsorption
> of aqueous cadmium on TiO2 solid. I am new to EXAFS and currently trying to
> fit my Cd K-edge spectra with some Cd experimental standards.
> The Farrel Lytle Database have some Cd spectra which seems useful and I
> would like to extract them from their "raw" state. The macro is given in the
> FAQ/Data Handling section of IFEFFIT, but I am not sure of how to go about
> using the macro or any other macro. Ctrl 5 in Athena is all I know. Can
> anyone advise me on this?
> #  macro lytle file group 4000
>   read_data ($1, group=$2, label='steps i0 i1 i2')
>   set (dspace  = 1.92017,     stpdeg  = $3)
>   set (r2d     = 57.29577951, hc      = 12398.61)
>   set $2.energy =  hc / (2 * dspace) / sin($2.steps / (r2d * stpdeg))
>   set $2.xmut   = -log($2.i1/$2.i0)
>   set $2.xmuf   = ($2.i2/$2.i0)
>   pre_edge $2.energy, $2.xmut
> end macro
> Cheers,
> Alan

Carlo U. Segre -- Professor of Physics
Associate Dean for Graduate Admissions, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494
segre at iit.edu   http://www.iit.edu/~segre   segre at debian.org
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