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Write CIF files #38

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jl-wynen opened this issue Feb 28, 2024 · 0 comments · Fixed by #89
Closed

Write CIF files #38

jl-wynen opened this issue Feb 28, 2024 · 0 comments · Fixed by #89
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technique:powder
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Powder Essentials

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@jl-wynen
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#35 and #25 only call for writing XYE files. But we need to support writing CIF as well. The earlier we do that, the earlier we start having understandable files.

  1. Identify and extract metadata from workflow
  2. Use ScippNeutron's CIF writer

For 1d d-spacing spectra only, for now.
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Add a CIF writer scipp/essdiffraction
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@jl-wynen