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Designing the twinning dictionary
jamesrhester edited this page Jan 17, 2013
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The CIF twinning dictionary should provide a set of standard data tags so that single-crystal workers can express their treatment of twinning in a verifiable way. It must mesh with current CIF dictionaries maintained by the IUCr.
The extra tags should allow us to:
- Describe the type of twinning, using classification schemes from the literature
- Mathematically describe the relationship between the twin individuals
- Identify the twin individuals contributing to each observed peak
- List the calculated and observed structure factors for each observed peak
The master branch contains a version that has been agreed upon by all workers. The 'proposed' branches contain various proposals for improvement. Justifications for these proposed improvements should be added and edited below.