diff --git a/docs/CHANGELOG.md b/docs/CHANGELOG.md index fa65be7bd..b36833c99 100644 --- a/docs/CHANGELOG.md +++ b/docs/CHANGELOG.md @@ -6,9 +6,13 @@ * Rugnux: Faster rotation processing, above all indexing and model refinement; live processing in jfjoch_broker finishes sooner after the last image. * Rugnux: More reliable rotation processing - merged intensities are no longer bent along resolution where part of the detector is shadowed, a spurious spot and its Friedel mate no longer pass outlier rejection, a weak spot's position no longer upsets geometry refinement, and unit-cell e.s.d.s include the uncertainty of the detector distance. * Rugnux: Model refinement no longer fails on a model whose residues are not in the restraint dictionary. +* Rugnux: More reliable indexing of small-molecule and supercell cases. +* Rugnux: More robust serial data - indexing ambiguity, detector distance and scaling; a cell given with `-C` is refined as a prior, with a warning where the data disagree. +* Rugnux: Molecular replacement also searches each chain of a multi-chain model on its own. * jfjoch_broker (experimental): Live serial processing keeps the detector geometry fitted at the start of the run for the whole run, which fixes a failure when the geometry changed during the collection. * jfjoch_broker: The per-image pixel sum is also computed without an FPGA (DECTRIS detectors) and read back from HDF5; pixels outside a CCD's active area have a pixel-mask bit of their own (bit 11). * jfjoch_broker: Changing the indexing settings repeatedly no longer exhausts GPU memory, the metadata stream no longer holds up image processing, and an internal-generator run larger than the card's memory is refused with an error instead of hanging. +* jfjoch_broker: The broker's own rotation indexing and quick integration are removed (rugnux live mode does this); their API settings are deprecated and ignored. Rugnux's `--single-pass-rotation` is removed. * jfjoch_viewer: Builds with a Qt that uses zstd, and a re-analysed image that no longer indexes shows no lattice. * Documentation: A rewritten README on what Jungfraujoch, Rugnux and the viewer are and how to run Rugnux; processing several sweeps of one crystal in one run is documented as experimental.