International Tables for Crystallography (2019). Vol. H. ch. 3.4, pp. 270-281
https://doi.org/10.1107/97809553602060000949

Chapter 3.4. Indexing a powder diffraction pattern

Contents

  • 3.4. Indexing a powder diffraction pattern  (pp. 270-281) | html | pdf | chapter contents |
    A. Altomare, C. Cuocci, A. Moliterni and R. Rizzi
    • 3.4.1. Introduction  (p. 270) | html | pdf |
    • 3.4.2. The basic concepts of indexing  (pp. 270-272) | html | pdf |
      • 3.4.2.1. Figures of merit  (pp. 271-272) | html | pdf |
      • 3.4.2.2. Geometrical ambiguities  (p. 272) | html | pdf |
    • 3.4.3. Indexing methods  (pp. 272-275) | html | pdf |
      • 3.4.3.1. Traditional indexing methods  (pp. 273-275) | html | pdf |
        • 3.4.3.1.1. Zone-indexing strategy  (pp. 273-274) | html | pdf |
        • 3.4.3.1.2. Shirley–Ishida–Watanabe (SIW) heuristic strategy  (p. 274) | html | pdf |
        • 3.4.3.1.3. Index-heuristics  (p. 274) | html | pdf |
        • 3.4.3.1.4. Index-permutation strategy  (p. 274) | html | pdf |
        • 3.4.3.1.5. Successive-dichotomy search method  (pp. 274-275) | html | pdf |
      • 3.4.3.2. Non-traditional indexing methods  (p. 275) | html | pdf |
        • 3.4.3.2.1. The topographs method  (p. 275) | html | pdf |
        • 3.4.3.2.2. Global-optimization methods  (p. 275) | html | pdf |
          • 3.4.3.2.2.1. Genetic-algorithm search method  (p. 275) | html | pdf |
          • 3.4.3.2.2.2. Monte Carlo search method  (p. 275) | html | pdf |
          • 3.4.3.2.2.3. Grid-search method  (p. 275) | html | pdf |
    • 3.4.4. Software packages for indexing and examples of their use  (pp. 275-280) | html | pdf |
      • 3.4.4.1. Traditional indexing programs  (p. 276) | html | pdf |
        • 3.4.4.1.1. ITO (Visser, 1969)  (p. 276) | html | pdf |
        • 3.4.4.1.2. TREOR90 (Werner et al., 1985)  (p. 276) | html | pdf |
        • 3.4.4.1.3. DICVOL91 (Boultif & Louër, 1991)  (p. 276) | html | pdf |
      • 3.4.4.2. Evolved indexing programs  (pp. 276-277) | html | pdf |
        • 3.4.4.2.1. N-TREOR09 (Altomare et al., 2009)  (pp. 276-277) | html | pdf |
        • 3.4.4.2.2. DICVOL06 (Louër & Boultif, 2006, 2007) and DICVOL14 (Louër & Boultif, 2014)  (p. 277) | html | pdf |
      • 3.4.4.3. Non-traditional indexing programs  (pp. 277-278) | html | pdf |
        • 3.4.4.3.1. Conograph: indexing via the topographs method  (p. 277) | html | pdf |
        • 3.4.4.3.2. GAIN: indexing via a genetic-algorithm search method  (pp. 277-278) | html | pdf |
        • 3.4.4.3.3. McMaille: indexing via a Monte Carlo search method  (p. 278) | html | pdf |
      • 3.4.4.4. Crysfire: a suite of indexing programs  (p. 278) | html | pdf |
      • 3.4.4.5. Two commercial programs  (p. 278) | html | pdf |
        • 3.4.4.5.1. SVD-Index  (p. 278) | html | pdf |
        • 3.4.4.5.2. X-CELL  (p. 278) | html | pdf |
      • 3.4.4.6. Examples of applications of indexing programs  (pp. 278-280) | html | pdf |
        • 3.4.4.6.1. Indexing using DICVOL06  (pp. 278-279) | html | pdf |
        • 3.4.4.6.2. Indexing using N-TREOR09  (pp. 279-280) | html | pdf |
    • 3.4.5. Conclusion  (p. 280) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 3.4.1. The list of possible cells for the decafluoroquarterphenyl structure automatically found using N-TREOR09  (p. 279) | html | pdf |
    • Tables
      • Table 3.4.1. Expressions for Q(hkl) for different types of symmetry  (p. 271) | html | pdf |
      • Table 3.4.2. Examples of lattices leading to geometrical ambiguities  (p. 273) | html | pdf |
      • Table 3.4.3. Classification of indexing methods  (p. 276) | html | pdf |