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Title: Analyzing diffuse scattering with supercomputers. Corrigendum

The study by Michels-Clark et al. (2013 [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.]) 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 b L and b R 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.
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Univ. of Bern, Bern (Switzerland)
  4. ETH Zurich, Zurich (Switzerland)
  5. Stony Brook Univ., Stony Brook, NY (United States)
  6. Univ. of Bern, Bern (Switzerland); Univ. of Zurich, Zurich (Switzerland)
Publication Date:
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 49; Journal Issue: 2; Journal ID: ISSN 1600-5767
International Union of Crystallography
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
97 MATHEMATICS AND COMPUTING; diffuse scattering; quantitative analysis; supercomputers
OSTI Identifier: