Solving crystal structures from ED data

Xiaodong Zou, Sven Hovmöller and Peter Oleynikov

in Electron Crystallography

Published in print August 2011 | ISBN: 9780199580200
Published online January 2012 | e-ISBN: 9780191731211 | DOI:

Series: International Union of Crystallography Texts on Crystallography

Solving crystal structures from ED data

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The principles of how to solve crystal structures from electron diffraction (ED) data are described. Recording and quantification of ED data is not trivial, considering the sharp diffraction spots that easily saturate the detector. The importance of using thin crystals is stressed. The phase problem in diffraction is presented and how it can be solved by various techniques, such as direct methods using triple relations, the Patterson function, charge flipping and the strong-reflections approach. Origin specification and semi-invariants, normalized structure factors and the Wilson plot are all described in detail.

Keywords: solving structures from ED data; recording ED data; quantification of ED data; phase problem; direct methods; triple relation; Patterson method; charge flipping; strong-reflections approach; origin specification; seminvariants; normalized structure factors; E-values

Chapter.  9911 words.  Illustrated.

Subjects: Crystallography

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