[Ifeffit] Fitting mechanism of Artemis

[bikov at phys.uni-sofia.bg]

Dear all,
I have a general question regarding the mechanism employed in the fitting
procedures implemented in Artemis.
How exactly is performed a fit? Do we have a fixed
central atom (absorbing/emitting atom) and only the distances to the
neighbors included in the probed pathways are varied, i.e. by varying the
coordinates of the corresponding neighbor atoms, or during
the fitting process Artemis can vary the position of the absorption center
too? Could the procedure be constrained in such a way that the scattering
pathways are adjusted by only varying the coordinates of the central atom?

With kind regards,
Konstantin Bikov
PhD Student at the Physics Department
of the University of Sofia, Bulgaria