4 Commits

Include renames

Author	SHA1	Message	Date
leonarski_fandClaude Opus 4.8	8c288c8697	rugnux: recover genuine high symmetry in de-novo space-group search ... The POINTLESS-style symmetry search discarded a real point group on two hard rotation-test crystals: - Ins_I_3 (I23): one of the eight cubic 3-fold operators scored CC 0.483, just under the 0.5 per-operator floor, so I23 fell to I222 and merging collapsed (3-fold orientation ambiguity; CC1/2 1%, R-meas 558%). Gate A now scores each CONJUGACY CLASS of a point group's rotations by its mean CC - conjugate operators are symmetry-equivalent and must stand or fall together - so the cubic 3-fold class (mean 0.57) is confirmed. -> I23, CC1/2 99.9%. Degenerate (few-pair / NaN) class members are skipped rather than vetoing the class. - Benas_3/7 (F432): the chi^2 self-consistency gate rejected the true cubic group because the weak-data error model is badly miscalibrated (reduced chi^2 ~150), which inflates the chi^2 ratio with point-group order for genuine high symmetry too. The ratio bound is now widened by log10(chi2_ref) so a broken error model does not veto real symmetry, while a false operator whose ratio is far worse than its subgroup's is still caught. The bound stays a per-candidate chi^2 test - chi^2 still arbitrates and is never bypassed. Verified: F432 (chi2_ref 151, ratio 3.2 < bound 4.2) accepted; a calibrated pseudo/twin R32 (Ins_H_3: chi2_ref 2.6, ratio 4.2 > bound 2.4) still rejected, stays R3. SearchSpaceGroup.{cpp,h} only. Validated on the 24-crystal rotation-test battery: exactly these two space groups change (both now match the reference); zero regressions - every pseudo-symmetry P1 case and every correct assignment unchanged. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>	2026-07-09 21:14:18 +02:00
leonarski_f	d6389e12da	v1.0.0-rc.156 (#66) ... This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * jfjoch_process: Major rotation (rot3d) data processing overhaul - robust profile-fit integration, Cauchy-loss scaling with optional absorption surface, de-novo indexing and space-group/centering determination fixes, and merging statistics + ISa in the mmCIF output. * jfjoch_process: Add EXPERIMENTAL ice-ring detection (--detect-ice-rings) that excludes ice reflections from scaling. * Compression: Add BSHUF_ZSTD_RLE_HUFF, make compression size-aware (drop frames that don't fit rather than aborting), and add the jfjoch_recompress tool. * jfjoch_viewer: Report "Multiple lattices detected" and grey out "Analyze dataset" on a live connection. * jfjoch_broker: Write smargon chi/phi goniometer positions to NXmx; read sensor thickness/material from HDF5 metadata. * CI: Build Windows (CUDA and non-CUDA) installers.Reviewed-on: #66 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>	2026-07-03 19:18:56 +02:00
leonarski_f	fc68a9baed	v1.0.0-rc.146 (#56) ... This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144. jfjoch_process: Generate a dedicated file (_process.h5), which can be used as a replacement for the _master.h5 file for a reanalyzed dataset. jfjoch_process: Improve the performance of scaling and merging, implement on the fly scaling. jfjoch_writer: All final data analysis results are repopulated in the _master.h5 file. jfjoch_scale: Dedicated tool for rescaling/merging existing data. jfjoch_viewer: Fix bugs where pixel labels where displayed on a wrong pixel. WARNING! Scaling and merging are experimental at the moment, and may not provide reasonable results for the time being. Reviewed-on: #56	2026-05-28 18:48:35 +02:00
leonarski_f	166fcdb68f	v1.0.0-rc.131 (#39) ... This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.124. * jfjoch_broker: Fix bug in saving JUNGFRAU calibration (pedestal/pedestalRMS) * jfjoch_viewer: Fix calibration (pedestal) images being open flipped * jfjoch_process: Add space group detection (EXPERIMENTAL) Reviewed-on: #39	2026-03-07 11:34:04 +01:00