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Shelly Kelly
Argonne National Laboratory
Bldg 203, RM E113
>
> On Saturday 06 January 2007 10:53, Kelly, Shelly D. wrote:
> > Hello Artemis users,
> >
> > I found an interesting feature in Artemis when generating a list of
> atoms
> > from the attached cif file worth
Hi Lisa,
In general the R-factor is good if it is less than a few percent. The
value reported is 0.01 or 1% then the fit is satisfactory. Just as a
note the R-factor is calculated over the entire data range given by rmin
and rmax of the fit, so make sure that they are reasonable values.
To co
On Sunday 07 January 2007 20:31, Bernd Griesebock wrote:
> I have a little problem using ifeffit with program code taken from athena.
> I try to make some linear combination calculations. Using Athena it
> works but using the code with ifeffit, I get some errors. Everything
> works fine untill the
