| Titre : |
Crystal structure refinement : A crystallographer's guide to SHELXL |
| Type de document : |
texte imprimé |
| Auteurs : |
Peter Muller, Éditeur scientifique ; Regine Herbst-Irmer, Éditeur scientifique ; Anthony Spek, Éditeur scientifique ; Thomas Schneider, Éditeur scientifique ; Michael Sawaya, Éditeur scientifique |
| Editeur : |
Oxford : Oxford University Press |
| Année de publication : |
2006 |
| Collection : |
IUCr Texts on Crystallography num. 8 |
| Importance : |
232 p. |
| ISBN/ISSN/EAN : |
978-0-19-857076-9 |
| Langues : |
Anglais (eng) |
| Tags : |
CRYSTAL-Structure CRYSTAL-Refining |
| Index. décimale : |
EQ -Equipe- |
| Résumé : |
"* Based on SHELXL, by far the world's most widely used computer program for refinement of crystal structures.
* Mixture of textbook and tutorial: detailed examples, and all files required to reproduce the refinements are provided on a CD-ROM.
* Addresses wide variety of potential buyers: students, postdocs, faculty, scientists in academia and industry.
* New and needed: clear lack of documentation and training for SHELXL which this book will help to rectify.
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." |
| Cote : |
LCC/G |
| Num_Inv : |
2828 |
Crystal structure refinement : A crystallographer's guide to SHELXL [texte imprimé] / Peter Muller, Éditeur scientifique ; Regine Herbst-Irmer, Éditeur scientifique ; Anthony Spek, Éditeur scientifique ; Thomas Schneider, Éditeur scientifique ; Michael Sawaya, Éditeur scientifique . - Oxford : Oxford University Press, 2006 . - 232 p.. - ( IUCr Texts on Crystallography; 8) . ISBN : 978-0-19-857076-9 Langues : Anglais ( eng)
| Tags : |
CRYSTAL-Structure CRYSTAL-Refining |
| Index. décimale : |
EQ -Equipe- |
| Résumé : |
"* Based on SHELXL, by far the world's most widely used computer program for refinement of crystal structures.
* Mixture of textbook and tutorial: detailed examples, and all files required to reproduce the refinements are provided on a CD-ROM.
* Addresses wide variety of potential buyers: students, postdocs, faculty, scientists in academia and industry.
* New and needed: clear lack of documentation and training for SHELXL which this book will help to rectify.
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." |
| Cote : |
LCC/G |
| Num_Inv : |
2828 |
|  |
Crystal structure refinement
