By Regine Herbst-Irmer, Anthony Spek, Thomas Schneider, Michael Sawaya
Crystal constitution Refinement is a mix of textbook and educational. As A Crystallographers advisor to SHELXL it covers complicated points of sensible crystal constitution refinement, that have no longer been a lot addressed by means of textbooks to this point. After an advent to SHELXL within the first bankruptcy, a short survey of crystal constitution refinement is equipped. Chapters 3 and better tackle a few of the facets of constitution refinement, from the remedy of hydrogen atoms to the project of atom kinds, to sickness, to non-crystallographic symmetry and twinning. One bankruptcy is devoted to the refinement of macromolecular constructions and brief chapters care for constitution validation (one for small molecule constructions and one for macromolecules). In all of the chapters the publication supplies refinement examples, according to this system SHELXL, describing each challenge intimately. It comes with a CD-ROM with all records essential to reproduce the refinements.
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