International Tables for Crystallography (2019). Vol. H. ch. 4.1, pp. 386-394
https://doi.org/10.1107/97809553602060000956

Chapter 4.1. An overview of currently used structure determination methods for powder diffraction data

Contents

  • 4.1. An overview of currently used structure determination methods for powder diffraction data  (pp. 386-394) | html | pdf | chapter contents |
    K. Shankland
    • 4.1.1. Introduction  (p. 386) | html | pdf |
    • 4.1.2. Methods used in SDPD  (pp. 386-387) | html | pdf |
    • 4.1.3. Conventional direct methods of structure determination  (pp. 387-388) | html | pdf |
    • 4.1.4. Modified direct methods of structure determination  (p. 388) | html | pdf |
    • 4.1.5. The direct-methods sum function  (p. 388) | html | pdf |
    • 4.1.6. The Patterson function  (p. 388) | html | pdf |
    • 4.1.7. Resonant (anomalous) scattering  (pp. 388-389) | html | pdf |
    • 4.1.8. Isomorphous replacement  (p. 389) | html | pdf |
    • 4.1.9. Maximum-entropy methods  (p. 389) | html | pdf |
    • 4.1.10. Charge flipping  (pp. 389-390) | html | pdf |
    • 4.1.11. Molecular envelopes  (p. 390) | html | pdf |
    • 4.1.12. Model building  (p. 390) | html | pdf |
    • 4.1.13. Molecular replacement  (p. 390) | html | pdf |
    • 4.1.14. Global optimization  (pp. 390-391) | html | pdf |
    • 4.1.15. Maximum-likelihood methods  (p. 391) | html | pdf |
    • 4.1.16. Local minimization  (p. 391) | html | pdf |
    • 4.1.17. Active use of prior information for particular structural classes  (pp. 391-392) | html | pdf |
    • 4.1.18. Combined figures of merit  (p. 392) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 4.1.1. A generalized scheme for structure determination from powder diffraction data  (p. 386) | html | pdf |
      • Fig. 4.1.2. A set of structure factors is Fourier transformed to yield a density map  (p. 389) | html | pdf |
    • Tables
      • Table 4.1.1. Some representative examples of structures solved using the methods described in this chapter  (p. 387) | html | pdf |