International Tables for Crystallography (2012). Vol. F, ch. 11.5, pp. 296-303   | 1 | 2 |
doi: 10.1107/97809553602060000834

Chapter 11.5. The use of partially recorded reflections for post refinement, scaling and averaging X-ray diffraction data

Contents

  • 11.5. The use of partially recorded reflections for post refinement, scaling and averaging X-ray diffraction data  (pp. 296-303) | html | pdf | chapter contents |
    • 11.5.1. Introduction  (p. 296) | html | pdf |
    • 11.5.2. Generalization of the Hamilton, Rollett and Sparks equations to take into account partial reflections  (pp. 296-297) | html | pdf |
    • 11.5.3. Selection of reflections useful for scaling  (p. 297) | html | pdf |
    • 11.5.4. Restraints and constraints  (pp. 297-298) | html | pdf |
    • 11.5.5. Generalization of the procedure for averaging reflection intensities  (p. 298) | html | pdf |
    • 11.5.6. Estimating the quality of data scaling and averaging  (p. 298) | html | pdf |
    • 11.5.7. Experimental results  (pp. 298-301) | html | pdf |
      • 11.5.7.1. Variation of scale factors versus frame number  (pp. 298-299) | html | pdf |
      • 11.5.7.2. R factor as a function of `sum-of-partialities' (method 1)  (pp. 299-300) | html | pdf |
      • 11.5.7.3. Statistics for rejecting reflections and data quality as a function of frame number  (p. 300) | html | pdf |
      • 11.5.7.4. Observed versus calculated partiality  (p. 300) | html | pdf |
      • 11.5.7.5. Anisotropic mosaicity  (p. 300) | html | pdf |
      • 11.5.7.6. Anomalous dispersion  (pp. 300-301) | html | pdf |
    • 11.5.8. Conclusions  (p. 301) | html | pdf |
    • Appendix 11.5.1. Partiality model (Rossmann, 1979; Rossmann et al. , 1979)  (pp. 301-302) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 11.5.7.1. Linear scale factors as a function of frame number for a ϕX174 data set  (p. 299) | html | pdf |
      • Fig. 11.5.7.2. Linear scale factor as a function of frame number for an HRV14 data set  (p. 299) | html | pdf |
      • Fig. 11.5.7.3. Linear scale factor determined by method 2 as a function of frame number for an SCP(114–264) data set  (p. 299) | html | pdf |
      • Fig. 11.5.7.4. R factor as a function of the difference of calculated `sum-of-partialities' and unity for the estimates of full reflections when method 1 is used for the scaling and averaging of a ϕX174 data set  (p. 300) | html | pdf |
      • Fig. 11.5.7.5. R factor per frame as a function of frame number for a ϕX174 data set  (p. 300) | html | pdf |
      • Fig. 11.5.7.6. The observed partialities plotted against calculated partialities for a ϕX174 data set  (p. 300) | html | pdf |
      • Fig. 11.5.7.7. Variation of (unconstrained) mosaicity for a monoclinic crystal of the bacterial virus alpha3  (p. 300) | html | pdf |
      • Fig. 11.5.7.8. Quality of anomalous-dispersion data for an SeMet derivative of dioxygenase Rieske ferredoxin  (p. 301) | html | pdf |
    • Tables
      • Table 11.5.3.1. Hierarchy of criteria for selecting reflections for scaling and averaging procedures  (p. 297) | html | pdf |