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Data analysis: Auto Rietveld to get product mol ratio #53

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bernardusrendy opened this issue Mar 2, 2023 · 3 comments
Open

Data analysis: Auto Rietveld to get product mol ratio #53

bernardusrendy opened this issue Mar 2, 2023 · 3 comments
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feature request new feature to implement

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@bernardusrendy
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@bernardusrendy
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  1. Two-level Refinement: other than compo -> atoms
    a. Simulated peaks as input for the general RR agent
    b. Phase chosen to be refined (0,0,0,1) 4 binaries
    c. Simulated peaks of the current refined structure for the structural RR agent
    d. When atoms is on, don't refine other params

@bernardusrendy
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Might be good to rethink how to implement this nicely, using DARA as low level, wrap it in alab_control, run it in alab_one as a task.

@bernardusrendy bernardusrendy added the feature request new feature to implement label Feb 19, 2024
@bernardusrendy
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Related to #26

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