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robertbuecker/diffractem: Bugfixing, streamlining, refinement

Bücker

Zenodo (CERN European Organization for Nuclear Research)2 Nov 2020Open access

NobleIDark:/48914/w1/20260515/5F948EBDDOI10.5281/zenodo.4182522

Abstract

Several new functions are included, especially regarding geometry/cell refinement and CrystFEL integration. Tested with the notebooks included in the submitted version of the workflow paper (available at https://github.org/robertbuecker/serialed-examples). Probably the last release that keeps the peaks and predictions tables in the Dataset object and supports table-style HDF5 entries.

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