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copying apo Rfree flags to output MTZ #41

@DHekstra

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@DHekstra

there is probably some room for improvement in how apo Rfree flags are handled:

PR33 says:

If Rfree flags are missing, they are generated automatically, improving compatibility with refinement software.

I think we should move the assignment of rfree_label_in to the top of the notebook, with other variable assignments, and throw an error when the label is not found. I don't think we should silently generate new flags when rfree_label_in is set to None.

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