The four shared-site atoms are selected and the "F" (fractional occupancy)
flag is set for those atoms.

At this point GENLES can be run.

Significant improvement is noted, both by agreement factors (see above)
and from the plot (below).

Still more improvement (see below)
can be obtained by allowing the first four profile
parameters (U, V, W and asym) and increasing the number of
background terms. For CW neutron
data, I recommend background function #1, the Chebychev polynomial function,
and 6-10 terms, for a fairily flat background such as this.

(.EXP Snapshot:
garnet8.exp
)

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Next step: Compute Bond Distances and Angles

Brian Toby (Brian.Toby@NIST.GOV)

$Revision: 175 $ $Date: 2009-12-04 23:01:39 +0000 (Fri, 04 Dec 2009) $