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Data names for describing electron diffraction

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cif_ed

Data names for describing electron diffraction. These are presented here as a CIF extension dictionary, but in practice many are equally applicable to X-ray or neutron studies, and so this draft, when approved by COMCIFS, might best be incorporated into the existing core CIF and possibly imgCIF dictionaries.

This project is best seen as an opportunity to focus on the new items required in the context of electron crystallography, and to invite content review from the user community.

This GitHub project contains:

  • cif_ed.dic : a draft electron diffraction dictionary. This is currently set up as a new extension dictionary, but if in the end only few new data names are needed, it may be incorporated into the core (and possibly imgCIF) dictionaries.
  • docs : a folder containing supporting documentation.
    • docs/ed.pdf : a PDF typeset representation of the draft dictionary to facilitate review by people unfamiliar with DDL formalism.
    • docs/proposal.md : the initial proposals of the NanED standardisation committee, with suggested enhancements.
    • docs/electron_examples.md : a survey of current usage in CIFs reporting 3DED structure determinations.
    • docs/recommendations.md : draft recommendations to authors to harmonise their use of CIF items.
    • docs/platon_checks.pdf: summary of all checks currently available to PLATON, to allow consideration of others that might need to be altered or suppressed.

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