Dials

Latest version: v0.0.1

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1.1.3

Fix compilation issues with recent MacOS X update. Fixed xia2.html. Fix colour issues in dials.reciprocal_lattice_viewer on Windows machines.

1.1.2

Updates in cctbx and xia2 for improved EIGER support.

1.1.1

Let xia2 calculate merging statistics using cctbx. Increase speed of sorting flex tables.

1.1.0

Release notes

Amongst many other improvements
- unit cell restraints are now available in dials.refine. These are particularly intended for use for multi-crystal joint refinement tasks. Cells may either be restrained to a known target, or groups of cells to their mean or median values.
- reciprocal lattice viewer runs much more smoothly
- xia2 now offers improved small molecule support, including a multi sweep indexer (use _multiple_sweep_indexing=True_), and the option to estimate unit cell uncertainties with _xia2.get_unit_cell_errors_

0.5.871

* This is the final xia2 0.5 release, and will be supported for a longer period than usual.

0.5.744

* you can now run xia2 with pipeline=dials-full which uses DIALS scaling and analysis tools in place of POINTLESS and AIMLESS

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