rs-station / reciprocalspaceship

Tools for exploring reciprocal space
https://rs-station.github.io/reciprocalspaceship/
MIT License
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DataSet.stack_anomalous() should not stack centric reflections #27

Closed JBGreisman closed 3 years ago

JBGreisman commented 3 years ago

This is similar to #25. Currently DataSet.stack_anomalous() returns a new DataSet with twice as many rows as the input object. This is because every row is split into two, and mapped to the +/- reciprocal space ASU. However centric reflections should not be considered "Friedel" and should always remain in the +ASU.

As such, the returned dataset should end up having 2*n_acentric + n_centric rows.

JBGreisman commented 3 years ago

Closed by #28