[Ifeffit] phase shifts

[Stefano Ciurli]

Hello,

yet another one... sorry today is my day...

With Athena it appears that I can simply (maybe too simply) click on 
a button and plot the phase shifted spectrum in R-space. How can I 
try to do the same using IFEFFIT from the command line? In practice, 
using IFEFFIT we can plot the fitted spectrum and the FT'ed 
experimental spectrum, but the plot does not consider the phase 
shift. We need to extract the phase shift in oder to translate the 
plot to show the phase shifted spectrum. How can we do that? What is 
the parameter in IFEFFIT that allows one - as in Athena - to add a 
constant number and shift the plot?

Stefano

PS: needless to say that we are learning...
-- 
____________________________________________

Stefano Ciurli
Professor of Chemistry
Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
Viale Giuseppe Fanin, 40
I-40127 Bologna
Italy
Phone:	+39-051-209-6204
Fax:	+39-051-209-6203

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Dante Alighieri - Inferno - Canto XXVI

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Nein, Tugend zu erringen und Erkenntnis"
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