addenda and errata
Analyzing diffuse scattering with supercomputers. Corrigendum
aLawrence Berkeley National Laboratory, Berkeley, CA 94720, USA, bOak Ridge National Laboratory, PO Box 2008, Oak Ridge, TN 37831, USA, cDepartment of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, CH-3012, Bern, Switzerland, dETH Zürich, Laboratorium für Kristallographie, Wolfgang-Pauli-Strasse 10, 8093 Zürich, Switzerland, eStony Brook University, Department of Applied Mathematics and Statistics, Stony Brook, NY 11794-3600, USA, and fDepartment of Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
*Correspondence e-mail: tmichels-clark@ion.chem.utk.edu
Errors in the paper by Michels-Clark, Lynch, Hoffmann, Hauser, Weber, Harrison & Bürgi [J. Appl. Cryst. (2013), 46, 1616–1625] are corrected.
Keywords: diffuse scattering; quantitative analysis; supercomputers.
The paper by Michels-Clark et al. (2013) contains misleading errors which are corrected here. The numerical results reported in that paper and the conclusions given there are not affected and remain unchanged. The transition probabilities in Table 1 (rows 4, 5, 7, 8) and Fig. 2 (rows 1 and 2) of the original paper were different from those used in the numerical calculations. Corrected transition probabilities as used in the computations are given in Table 1 and Fig. 1 of this article. The Δ parameter in the stacking model expresses the preference for the fifth layer in a five-layer stack to be eclipsed with respect to the first layer. This statement corrects the original text on p. 1622, lines 4–7. In the original Fig. 2 the helicity of the layer stacks bL and bR in rows 3 and 4 had been given as opposite to those in rows 1, 2 and 5. Fig. 1 of this article shows rows 3 and 4 corrected to correspond to rows 1, 2 and 5.
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References
Michels-Clark, T. M., Lynch, V. E., Hoffmann, C. M., Hauser, J., Weber, T., Harrison, R. & Bürgi, H. B. (2013). J. Appl. Cryst. 46, 1616–1625. Web of Science CrossRef CAS IUCr Journals Google Scholar
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