@Anthchirp Anthchirp released this Nov 2, 2018 · 251 commits to master since this release

Release notes

DIALS 1.12.0 (2018-11-02):

  • dials.compute_delta_cchalf: new utility to implement a delta-cc12 analysis for removing scaled data sets with poor agreement.
  • dials.export can now export MTZs of single-image data sets.
  • dials.frame_orientations: new utility to output a table and plot of crystal orientations for each image expressed as a zone axis direction.
  • dials.reindex: allow reindexing against a reference file to give a common indexing between data sets.
  • dials.scale: Addition of weak B-restraint for physical model to improve refinement stability. General bug fixes and stability improvements. Addition of cross validation options for scaling.
  • dials.search_beam_position now works for multiple-sweep data sets.
  • dials.symmetry: add a round of outlier rejection before symmetry analysis.

xia2 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

DIALS 1.12.1 (2018-11-19) includes xia2 0.5.757:

  • dials.detect_blanks is now less conservative
  • dials.scale fixes
  • Updates to support Eiger stream data
  • Updates to support Fast DP v1.1
  • xia2: Added command line options dials.integrate.d_max and .d_min to set resolution limits for integration
  • xia2: Fixes for dials-full pipeline
  • xia2: Reduce size of xia2.report HTML output
  • xia2: Improve the experimental remove_blanks mechanism

DIALS 1.12.2 (2018-12-03) includes xia2 0.5.764:

  • DIALS image viewer: show hdf5-derived file extensions in file load dialogue
  • cosym: maintain experiment order as given in the input
  • cosym: only export relevant experiments when using a subset of the data for analysis
  • dials.reindex: sanity check space group before using a given reference
  • dials.scale: speed up outlier rejection
  • xia2: handle I2/C2 ambiguity in the dials-full pipeline (xia2/xia2#260)
  • xia2: general improvements to the dials-full pipeline

DIALS 1.12.3 (2019-01-07) includes xia2 0.5.767:

  • EIGER detector support fixes
  • dials.export_bitmaps: allow combining output_file with imageset_index
  • xia2: fix character encoding in HTML log
  • xia2: restore previously removed xia2.to_shelx command

DIALS 1.12.4 (2019-01-22) includes xia2 0.5.769:

  • dials.predict: switch index generation method for >50 images (#585)
  • xia2: bug fix for .h5 files where data files don't have 'data_' in file name (xia2/xia2#272)
  • Nexus file format support:
    • add workaround if scan is None
    • correctly interpret offset units

DIALS 1.12.5 (2019-02-05) includes xia2 0.5.769:

Assets 39