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[sdpd] peak shifting
Dear all,
I am using FullProf to refine a silicate with apatite type of
structure. The problem is that after the complete refinement and
getting pretty good R factors and physically reliable values when I
generate the final structure in PowderCell and than load the
experimental powder X-ray pattern there is no complete matching between
the two diffractograms. In fact there is a peak shifting and the
experimental settings for both patterns are the same. Has somebody had
such a problem and what could be the explanation of it.
Many thanks in advance
Stanislav
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