Crystal structure refinement : a crystallographers guide to SHELXL /

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.

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Müller, Peter, 1970- (Autor, Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Oxford ; New York : Oxford University Press, 2006.
Colección:International Union of Crystallography texts on crystallography ; 8.
Temas:
Crystals > Structure.
Crystals > Refining.
Crystals > Data processing.
Cristaux > Structure.
Cristaux > Affinage.
Cristaux > Informatique.
SCIENCE > Physics > Crystallography.
Crystals > Data processing
Crystals > Structure
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 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.

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