Some reflections on symmetry: pitfalls of automation and some illustrative examples

What is it about?

A tutorial paper based on material presented at two international conferences in sessions devoted to passing on crystallographic experience and expertise to young researchers. It matters that crystallographers have at least a basic understanding of symmetry including some important fundamental concepts and definitions. Examples are given of structures for which automated procedures are likely to give incorrect results.

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Why is it important?

There is too much reliance these days on automatic procedures in crystallography. This paper argues the importance of some real understanding by users of crystal structure analysis techniques.