[Ifeffit] phase shifts
stefano.ciurli at unibo.it
Wed Dec 14 10:38:07 CST 2005
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?
PS: needless to say that we are learning...
Professor of Chemistry
Laboratory of Bioinorganic Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
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ma per seguir virtute e canoscenza"
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Nein, Tugend zu erringen und Erkenntnis"
"Ye were not form'd to live the life of brutes,
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