International
Tables for
Crystallography
Volume H
Powder diffraction
Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk

International Tables for Crystallography (2018). Vol. H, ch. 1.1, p. 20

Figure 1.1.25 

R. E. Dinnebiera* and S. J. L. Billingeb,c

aMax-Planck-Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany,bDepartment of Applied Physics and Applied Mathematics, Columbia University, 500 West 120th Street, Room 200 Mudd, MC 4701, New York, NY 10027, USA, and cCondensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, PO Box 5000, Upton, NY 11973–5000, USA
Correspondence e-mail:  r.dinnebier@fkf.mpg.de

[Figure 1.1.25]
Figure 1.1.25

Flow diagram of a simulated-annealing procedure used for structure determination from powder diffraction data (from Mittemeijer & Welzel, 2012[link]). F in the double sum is the structure factor from the structural model at each step of the optimization. Each sum runs over all reflections. h and k are summation indices representing hkl and hkl′, respectively.