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reciprocalspaceship 0.9.0

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@JBGreisman JBGreisman released this 17 Nov 00:24
  • Adds DataSet.expand_to_p1()
  • Adds DataSet.expand_anomalous()
  • #14 Adds DataSet.to_reciprocalgrid() to organize DataSet column in a 3D NumPy array
  • Add DataSet.to_structurefactor() and DataSet.from_structurefactor() to facilitate converting to/from complex datatypes
  • #11 Add DataSet.compute_multiplicity() to avoid direct calls to. rs.utils
  • #10 Add DataSet.label_absences() for labeling systematic absences