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An overview of currently used structure determination methods for powder diffraction data
Shankland, K., International Tables for Crystallography (2019). Vol. H, ch. 4.1, pp. 386-394 [ doi:10.1107/97809553602060000956 ]
F. (1990). Extending the power of powder diffraction for structure determination. Nature (London), 346, 731–734. Google Scholar David, W. I. F. & Shankland, K. (2008). Structure determination from powder diffraction data. Acta ...

Resonant (anomalous) scattering
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.7, pp. 388-389 [ doi:10.1107/97809553602060000956 ]


The direct-methods sum function
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.5, pp. 388-388 [ doi:10.1107/97809553602060000956 ]


Global optimization
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.14, pp. 390-391 [ doi:10.1107/97809553602060000956 ]
in the unit cell. This is discussed more fully in Section 4.1.15 and Chapter 4.3 . References David, W. I. F. & Shankland, K. (2008). Structure determination from powder diffraction data. Acta Cryst. A 64, 52–64. Google ...

Molecular envelopes
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.11, pp. 390-390 [ doi:10.1107/97809553602060000956 ]


Local minimization
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.16, pp. 391-391 [ doi:10.1107/97809553602060000956 ]
a number of molecular crystal structures, including several from a test suite of laboratory-based powder diffraction data (Florence et al., 2005). References Florence, A. J., Shankland, N., Shankland, K., David, W. I. F ...

Isomorphous replacement
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.8, pp. 389-389 [ doi:10.1107/97809553602060000956 ]


Combined figures of merit
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.18, pp. 392-392 [ doi:10.1107/97809553602060000956 ]
FOX : Modular approach to crystal structure determination from powder diffraction . In European Powder Diffraction Epdic 8 . Mater. Sci. Forum, 443–444, 35–38. Google Scholar Fernandes, P., Shankland, K., Florence, A. J ...

Molecular replacement
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.13, pp. 390-390 [ doi:10.1107/97809553602060000956 ]


Maximum-entropy methods
Shankland, K., International Tables for Crystallography (2019). Vol. H, Section 4.1.9, pp. 389-389 [ doi:10.1107/97809553602060000956 ]
entropy method. J. Appl. Cryst. 41, 292–301. Google Scholar Tremayne, M., Lightfoot, P., Glidewell, C., Harris, K. D. M., Shankland, K., Gilmore, C. J., Bricogne, G. & Bruce, P. G. (1992). Materials chemistry communications. Application ...

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