Crystal Structure Refinement A Crystallographer's Guide to SHELXL

ISBN-10: 0198570767
ISBN-13: 9780198570769
Edition: 2006
List price: $140.00
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Description: Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an  More...

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Book details

List price: $140.00
Copyright year: 2006
Publisher: Oxford University Press, Incorporated
Publication date: 9/7/2006
Binding: Hardcover
Pages: 232
Size: 6.25" wide x 9.25" long x 0.75" tall
Weight: 1.430
Language: English

Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.

Sheldrick/Muller: SHELXL
Muller: Crystal Structure Refinement
Muller: Hydrogen Atoms
Muller: Atom Type Assignment
Muller: Disorder
Muller: Pseudo Symmetry
Herbst-Irmer: Twinning
Muller: Artefacts
Spek: Structure Validation
Schneider: Protein Refinement with SHELXL
Sawaya: Protein Structure (Cross) Validation
Muller: General Remarks

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