Session 11

Home /
Categories /
Session 11

Electron Diffraction for Charge Density Studies: Historical Perspectives and Modern Data Processing Considerations

Charge density research and electron diffraction share well-established historical connection. This presentation provides a concise overview of various electron diffraction and microscopy techniques capable of yielding valuable charge density information

Quantum crystallography and NMR crystallography

A weakness of current NMR crystallography for organic solids is the relatively poor positioning of H by independent atom modelling in XRD refinement. In order to obtain reasonable agreement with NMR data

Data Quality

Crystallography has established a de-facto, well-understood, level of quality in its data over many decades. This is largely based on a long history of standardised instrumentation

Defining Tools for Complex Small Molecules to Enable Assessment of Quality and Appropriate Reuse of Data

An important, but often difficult to evaluate, aspect of small molecule crystallographic structure analysis is an understanding of how a refinement has been performed. One of the tools tha can be used is to evaluate the likelihood of a given bond in a structure, and from this calculate the total likelihood of the structure