Crystal Structure Analysis

William Clegg: Formerly Wissenschaftlicher Assistant at the University of Göttingen in Germany, two Joint Appointments at Daresbury Laboratory, Founding Joint Editor of Acta Crystallographica Section E, BCA Council Member, RSC Corday-Morgan Medal 1985.; Alexander J Blake: Formerly Research Fellow at the University of Edinburgh, previous Chairman of the BCA Chemical Crystallography Group, Deputy Editor of Acta Crystallographica Section C, Vice-President of the British Crystallographic Association, Scientific Director of the BCA CCG Intensive Course on X-ray Structural Analysis. Jacqueline M Cole: Formerly Research Associate at the University of Kent and Junior Research Fellow at St Catherine's College Cambridge, BCA Chemical Crystallography Prize 2000, Franco-British Science Prize 2006, Brian Mercer Feasibility Award 2007, RSC SAC Silver Medal 2009.; John S O Evans: Formally Royal Commission for the Exhibition of 1851 Research Fellow at the Inorganic Chemistry Laboratories, Oxford, recipient of the RSC Meldola medal for contributions to solid state chemistry, former honorary secretary/treasurer of the BCA Physical Crystallography Group, chair of the ISIS crystallography panel, scientific co-director of the IoP Structural Condensed Matter Physics Group/BCA PCG residential school on powder diffraction. Peter Main: Co-developer of MULTAN program for direct methods in crystallography.; Simon Parsons: Formerly Research Fellow at the University of Oxford and staff crystallographer at the University of Edinburgh, previous Chairman of the BCA Chemical Crystallography Group.; David J Watkin: Coordinator for the program system CRYSTALS, founder of the BCA Intensive Schools, former chairman of the IUCr Computing Commission.

1. Introduction to diffraction ; 2. Introduction to symmetry and diffraction ; 3. Crystal growth and evaluation ; 4. Space group determination ; 5. Background theory for data collection ; 6. Practical aspects of data collection ; 7. Practical aspects of data processing ; 8. Fourier syntheses ; 9. Patterson syntheses for structure determination ; 10. Direct methods of crystal structure determination ; 11. An introduction to maximum entropy ; 12. Least squares fitting of parameters ; 13. Refinement of crystal structures ; 14. Analysis of extended inorganic structures ; 15. The derivation of results ; 16. Random and systematic errors ; 17. Powder diffraction ; 18. Introduction to twinning ; 19. The presentation of results ; 20. The Crystallographic Information File (CIF) ; 21. Crystallographic databases ; 22. X-ray and neutron sources ; Appendix A: Useful mathematics and formulae ; Appendix B: Questions and answers