Advanced Crystallography

Advanced Crystallography

This webinar took place on February 26th 2013

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Data Collection and Data Reduction Techniques for Modulated Structures

Drs. Michael Ruf and Charles Campana give a one-hour presentation demonstrating the steps required to collect and process data for modulated structures. Specific topics include: how to recognize modulated structures; introduction to q-vectors; APEX2 software tools; preparation of files for JANA2006; and examples of the solution of modulated structures from single-crystal diffraction data.

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Refinement of Disordered Structures

Dr. Charles Campana gives a one-hour presentation demonstrating the steps required to refine disordered crystal structures. Along with specific examples, topics covered include SHELXL, SHELXTL, free variables, PART n and –n instructions, constraints vs restraints, and advanced refinement instructions.

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Publication of Crystal Structures

Publication of crystal structures is often a researcher's least favorite task. This 90-min webinar will help. It describes the steps required to prepare crystal structures for publication in chemical and crystallographic journals, including collection of high-quality intensity data, common refinement problems, data evaluation, error analysis, preparation of CIF files, and the use of CIF-checking programs.

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