Why direct and post-refinement determinations of absolute structure may give different results

Watkin, D.J.; Cooper, R.I.

doi:10.1107/S2052520616012890

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 9
Standard uncertainties of the Bijvoet difference determination of absolute structure versus direct determination for materials in Table S1. The count weighted post-refinement analysis always gives smaller standard uncertainties than direct refinement.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 72| Part 5| October 2016| Pages 661-683

https://doi.org/10.1107/S2052520616012890

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