Converting Structure Factors to Intensities about reciprocalspaceship HOT 7 CLOSED

to avoid that issue, I think we could use an API that returns a new DataSet object (similar to what we do for rs.algorithms.scale_merged_intensities().

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I think this is a reasonable request. I agree it should go in rs.algorithms, and I think it will be important to explicitly specify the assumptions that go into this.

Personally, I don't have a use-case for this, but it seems like a reasonable place to include these equations if they are useful to careless

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Does it seem prudent to give these columns a name that explicitly describes what has been done? Just so as to a) not overwrite existing columns and b) avoid confusion/misinterpretation. Call it like, I_backcalc or I_fromF or something snappier and equally informative.

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@kmdalton Could you point me towards a suitable dataset for testing that contains F/SigF columns, or even better, contains F/SigF and also I/SigI two which they could be compared?

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You could send it to me offline, or put I suppose just put it in the tests/data directory on the intensities-clean branch

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i believe this file in tests/data/algorithms fits the bill. As per tests/algorithms/conftest.py, it should be available to tests in the tests/algorithms namespace under the fixture: ref_hewl.

Let me know if that works for you.

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Ah amazing, thanks!

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