W C Hamilton "Significance tests on the crystallographic R factor"
Acta Cryst. (1965). 18, 502-510
Interestingly enough, I have used the Hamilton tests in Rietveld powder
refinements of small molecules/intermetallics before before. One problem
were partial occupancies vs split conformations in HT superconductors.
Alas, you cannot cheat there either - most of the time the results showed
that numerically the differences were not significant, and one again had to
resort to non-statistical plausibility arguments of references.
Has anyone done Hamiltons on different protein models/parameterizations and
can report? I think for global parameterization changes like NCS,TLS, etc
that may in fact be interesting.
BR
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