An overview of currently used structure determination methods for powder diffraction data
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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
.
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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
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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
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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 ]
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