1. SHELXL ; 2. Crystal structure refinement ; 3. Hydrogen atoms ; 4. Atom type assignment ; 5. Disorder ; 6. Pseudo-symmetry / Peter Müller -- 7. Twinning / Regine Herbst-Irmer -- 8. Artefacts / Peter Müller -- 9. Structure validation / Anthony L. Spek -- 10. Protein refinement / Thomas R. Schneider -- 11. Protein structure (cross) validation / Michael R. Sawaya -- 12. General remarks / Peter Müller
Summary
A crystallographers guide to SHELXL, covering various aspects of practical crystal structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, and more. After an introduction to SHELXL, a brief survey of crystal structure refinement is provided
Bibliography
Includes bibliographical references (pages 204-210) and index
