All Stories

  1. Absolute structure from single crystal X-ray data even when the resonant atoms are disordered.
  2. Why direct and post-refinement determinations of absolute structure may give different results
  3. Report on the sixth blind test of organic crystal structure prediction methods
  4. Absolute structure determination usingCRYSTALS
  5. Crystal structures of increasingly large molecules: meeting the challenges with CRYSTALS software
  6. Will it Crystallise
  7. DetOx: a program for determining anomalous scattering factors of mixed-oxidation-state species
  8. CRYSTALSenhancements: asymmetric restraints
  9. Applications of leverage analysis in structure refinement
  10. CRYSTALSenhancements: dealing with hydrogen atoms in refinement
  11. CIF applications. XVI.CIF2CRY: for CIF input into theCRYSTALSprogram
  12. CRYSTALSenhancements: refinement of atoms continuously disordered along a line, on a ring or on the surface of a sphere
  13. CRYSTALSversion 12: software for guided crystal structure analysis
  14. The derivation of non-merohedral twin laws during refinement by analysis of poorly fitting intensity data and the refinement of non-merohedrally twinned crystal structures in the programCRYSTALS