Overview

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 briefsurvey 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 therefinement 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 aCD-ROM with all files necessary to reproduce the refinements.

ISBN-13

9780198570769

ISBN-10

0198570767

Weight

1.25 Pounds

Dimensions

6.25 x 0.75 x 9.25 In

List Price

$130.00

Edition

1st Edition

Format

Hardcover

Language

English

Publisher

Oxford University Press

Published On

2006-09-07



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