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Ingest NCM XAS simulations #32

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danielballan opened this issue Oct 5, 2022 · 0 comments
Open

Ingest NCM XAS simulations #32

danielballan opened this issue Oct 5, 2022 · 0 comments
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@danielballan
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This is item 5i in the Google doc. Data owner is Yiming.

Data comprises.TM K-edge (from Yiming), TM-L edge, O K-edge (from Haili).

There are two kinds of data here:

  • the simulated structure (chi file)
  • the simulated spectrum

For a given simulated structure, there may be multiple simulated spectra; that is, there is a one-to-many relationship between structure and spectra. We can encode this association in the metadataof each spectrum:{"structure": <uid of structure>}. Later, this would be an ideal use case for references but we don't have that feature availabe in aimmdb yet.

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