leonarski_fandClaude Opus 4.8
ef103d2ea2
The de-novo space-group search runs its point-group correlation only on reflections with I/sigma >= 3, but the Diederichs error model floors merged I/sigma at the asymptotic ISa = 1/b. On a weakly-diffracting crystal a few edge-of-sweep truncated fulls (rocking curve captured far below 1) inflate the error-model b term, dropping ISa below 3 so no reflection clears the gate: every operator gets zero pairs and the point group collapses to P1 (or a low subgroup). The chi^2 self-consistency guard is likewise corrupted by those zingers. Raising the rotation default of --min-captured-fraction from 0.5 to 0.7 drops those partiality-extrapolated fulls, lifting ISa back above the gate and cleaning the intensity statistics, so the search recovers the true symmetry. On the F-cubic Benas crystals: Benas_3 P4 -> F432 (CC1/2 78% -> 98%) and Benas_7 P1 -> P6122 (CC1/2 40% -> 99%). Benas_7's data supports hexagonal P6122, not cubic F432 - the cubic 3-fold/4-folds fail the merge self-consistency test - matching XDS. Full /data/rotation_test battery: every other crystal keeps its exact space group; the only cost is a little multiplicity from the extra dropped edge-fulls on a few weak/ narrow-sweep crystals (worst completeness -7% on EP_cs_01-24, whose CC1/2 nonetheless rises), while several crystals' CC1/2 improve. Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
Jungfraujoch
Application to receive data from the PSI JUNGFRAU and EIGER detectors.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.