International Tables for Crystallography (2012). Vol. F. ch. 18.1, pp. 459-465   | 1 | 2 |
https://doi.org/10.1107/97809553602060000855

Chapter 18.1. Introduction to refinement

Contents

  • 18.1. Introduction to refinement  (pp. 459-465) | html | pdf | chapter contents |
    L. F. Ten Eyck and K. D. Watenpaugh
    • 18.1.1. Overview  (p. 459) | html | pdf |
    • 18.1.2. Background  (p. 459) | html | pdf |
    • 18.1.3. Objectives  (p. 459) | html | pdf |
    • 18.1.4. Least squares and maximum likelihood  (p. 460) | html | pdf |
    • 18.1.5. Optimization  (p. 460) | html | pdf |
    • 18.1.6. Data  (p. 460) | html | pdf |
    • 18.1.7. Models  (pp. 461-462) | html | pdf |
    • 18.1.8. Optimization methods  (pp. 462-463) | html | pdf |
      • 18.1.8.1. Solving the refinement equations  (pp. 462-463) | html | pdf |
      • 18.1.8.2. Normal equations  (p. 463) | html | pdf |
      • 18.1.8.3. Choice of optimization method  (p. 463) | html | pdf |
      • 18.1.8.4. Singularity in refinement  (p. 463) | html | pdf |
    • 18.1.9. Evaluation of the model  (p. 464) | html | pdf |
      • 18.1.9.1. Examination of outliers in the model  (p. 464) | html | pdf |
      • 18.1.9.2. Examination of model electron density  (p. 464) | html | pdf |
      • 18.1.9.3. R and Rfree  (p. 464) | html | pdf |
    • 18.1.10. Conclusion  (p. 464) | html | pdf |
    • References | html | pdf |