From ca118917a73128c2aea138e599501010db260d59 Mon Sep 17 00:00:00 2001 From: Filip Leonarski Date: Mon, 2 Nov 2026 08:17:11 +0100 Subject: [PATCH] CHANGELOG: 1.0.0-rc.181 entry Co-Authored-By: Claude Opus 5.5 Claude-Session: https://claude.ai/code/session_01HVeDQqrcrEZy6XBUCMZvyT --- docs/CHANGELOG.md | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/docs/CHANGELOG.md b/docs/CHANGELOG.md index 6807fa598..e36ba63d8 100644 --- a/docs/CHANGELOG.md +++ b/docs/CHANGELOG.md @@ -1,6 +1,16 @@ # Changelog ## 1.0.0 +### 1.0.0-rc.181 + +* Rugnux: Several rotation sweeps of one crystal are merged as one dataset (`rugnux a_master.h5 b_master.h5`), on a common indexing and cell, with a non-isomorphous sweep left out and reported; `--sweeps separate` processes each sweep on its own. Bruker `.sfrm` frames and imgCIF files with a full goniometer axis chain are read. +* Rugnux: More robust rotation processing - a retry with a more sensitive spot finder when no lattice is found, a self-consistent detector distance, long axes and doubled cells tested as hypotheses, a `-C` supercell multiple stepped down, and each ice ring merged, down-weighted or rejected on its own. +* Rugnux: Serial stills are merged with a partiality-aware error model, reported as `ERROR_MODEL_A/B/C` with no ISa or R_merge/R_meas/R_pim; runs without `-S` have an overall intensity scale about 0.86-0.88 times that of earlier versions, with unchanged statistics. A second crystal form is left out of the merge and reported, the indexing ambiguity is resolved more reliably, and `--model` no longer influences processing. +* Rugnux: The reported CC1/2 is the standard unweighted one, which can be lower than before on sweeps with weak frames; ISa comes with a 95% interval (`ISA_LOW`/`ISA_HIGH`). +* Rugnux: Model refinement adds anisotropic/TLS, local NCS and twin refinement where R-free supports them; building waters and relabelling ions is now off by default (`--refine-solvent` turns it on). +* NXmx: A detector of several modules is written as `module_0` ... `module_N` only, so DIALS reads each module as its own panel. +* Other: JPEG previews use a bundled encoder (libjpeg-turbo no longer needed), Rugnux prints how to cite it, and the release archives contain the HTML documentation. + ### 1.0.0-rc.180 * Rugnux: A placed model is refined by default - restrained maximum-likelihood refinement on the GPU (CPU without one), writing `_refined_model.cif`, `_refined_maps.mtz` and the difference-map blobs in `_blobs.json`; `--no-refine` skips it.