Crystal Structure Refinement: A Crystallographer's Guide to SHELXL by Peter Muller, Michael Sawaya, Anthony Spek, Thomas Schneider, Regine Herbst-Irmer (Hardback, 2006)
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About this product
- DescriptionCrystal 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 t 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 n-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.
- Author BiographyDr. Peter Muller Department of Chemistry Massachusetts Institute of Technology 77 Massachusetts Avenue, Building 2, Room 325 Cambridge, MA 02139, USA Dr. Regine Herbst-Irmer Department of Structural Chemistry Institute of Inorganic Chemistry University of Gottingen Tammannstr. 4 D-37077 Gottingen, Germany Prof. Dr. Anthony L. Spek Laboratory of Crystal and Structural Chemistry Bijvoet Center for Biomolecular Research Utrecht University Padualaan 8 3584 CH Utrecht, The Netherlands Dr. Thomas R. Schneider IFOM - The FIRC Institute of Molecular Oncology Biocrystallography and Structural Bioinformatics Via Adamello 16 I-20139 Milan, Italy Dr. Michael R. Sawaya Research Faculty, UCLA Technology Center University of California Los Angeles Box 951662 Los Angeles, CA 90095-1662, USA Peter Muller has worked in George Sheldrick's research group for over five years, where he received a thorough crystallographic education. He studied chemistry and crystallography (M.S. in 1997) and received his Ph.D. with George Sheldrick in 2001 on a thesis entitled Problems of Modern High-Resolution Single-Crystal X-Ray Structure Determination From 2001 to 2004, he spent three years in Los Angeles as a postdoc in David Eisenberg's group at UCLA. There he worked in the field of molecular and structural biology. Currently, he is the director of the X-ray diffraction facility at MIT. Dr. Muller taught basic and advanced crystallography (both theory and lab classes) in Gottingen, Los Angeles and now at MIT, and has held several structure refinement workshops around the USA and in Germany.
- Author(s)Anthony Spek,Michael Sawaya,Peter Muller,Regine Herbst-Irmer,Thomas Schneider
- PublisherOxford University Press
- Date of Publication13/07/2006
- SubjectScience & Mathematics: Textbooks & Study Guides
- Series TitleInternational Union of Crystallography Texts on Crystallography
- Series Part/Volume Number8
- Place of PublicationOxford
- Country of PublicationUnited Kingdom
- ImprintOxford University Press
- Content Note76 line drawings and 4 halftones
- Weight542 g
- Width162 mm
- Height242 mm
- Spine18 mm
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