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dagewa / DIALS_for_ED_paper

Collaborative manuscript preparation
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R1Q14 lattice parameters #26

Closed dagewa closed 6 years ago

dagewa commented 6 years ago

Table 2 – the lattice parameters are rotated here compared to the Table 1 – is it necessary for symmetry reasons? Either explain, or make consistent.

dagewa commented 6 years ago

The dials.refine_bravais_lattice procedure chooses a cell according to the convention c>b>a (with no attempt to identify screw axes). However, when the data were merged they were reindexed by pointless in order to choose the conventional space group P 21 21 2. A sentence has been added to the text to make this fact clear.

dagewa commented 6 years ago

TODO add a note to the text to make this clear