Crystal Structure Refinement : A Crystallographer's Guide to SHELXL PDF
by Peter Muller, Regine Herbst-Irmer, Anthony Spek, Thomas Schneider, Michael Sawaya
Part of the International Union of Crystallography Texts on Crystallography series
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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 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 theassignment 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 chaptersthe 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.
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- Format:PDF
- Publisher:OUP Oxford
- Publication Date:13/07/2006
- Category:
- ISBN:9780191524769
Information
-
Download Now
- Format:PDF
- Publisher:OUP Oxford
- Publication Date:13/07/2006
- Category:
- ISBN:9780191524769
