leonarski_fandClaude Opus 4.8
6df657fe62
The monoclinic 2_1 screw was missed on EP_cs_02-10 and EP_cs_01-17 (adopted P2 instead of P2_1). The 0k0-odd reflections are correctly measured as weak (~0.1-1% of 0k0-even, matching XDS), but their merged sigmas are ~2x too small, so their I/sigma clears the present_i_over_sigma cut and they count as screw-axis violations - the search then falls back to the symmorphic group. Add a resolution-normalised intensity E^2 = I / <I>(shell), computed from equal-count resolution shells, and require a reflection to reach present_e_squared (0.3) as well as present_i_over_sigma before it counts as violating a predicted absence. This only tightens "present", so it cannot manufacture a screw whose predicted-absent class carries real intensity (a symmorphic crystal's axial reflections sit at E^2 ~ 1 and still register as violations). On the 18-crystal rotation battery this recovers the screw on EP_cs_02-10 and EP_cs_01-17 (-> P2_1) and, as a side effect, on MyoB (-> P2_1), pding4_001 (-> P4_122/P4_322) and pding4_003 (-> P2_2_2_1) - all confirmed by genuine absences in the reference intensities (absent class at 0.02-0.76% of the allowed class), which the old sigma-only test also missed. The other 13 crystals, indexing rate and ISa are unchanged; the screw-free control (Ins_I -> I23/I2_13) is unaffected. Add a regression test that reproduces the under-estimated-sigma screw and checks the gate recovers it (and that disabling the gate reproduces the miss). Co-Authored-By: Claude Opus 4.8 <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.