leonarski_fandClaude Opus 5.5
fb9d4992bd
A crystal of slightly misaligned domains (a ferroelastic domain twin below a phase transition, a split crystal) records each reflection as two or more compact spots around the averaged lattice's prediction, moving apart with resolution. The pre-scan footprint is measured about each spot, so it saw compact spots; the r1 disk held the gap between them and the background ring sat on them. The geometry pre-pass now compares every indexed spot with the predicted position of its own reflection on the same frame and adds the mean square offset (radial and tangential, by distance from the beam) to the pre-scan widths; the canonical pass integrates with that table. Where spots sit on their predictions this moves the widths by the prediction error alone (lysozyme: 0.2-1.0 px, no reflection outgrows r1); on a 100 K KDP domain twin the offsets reach 8-16 px at the edge. KDP (kdp_x10sa_20keV), battery SHELXL recipe on the COD model: R1 0.272 -> 0.048, wR2 0.685 -> 0.129, EXTI 26.9 -> 0.025, GooF 3.2 -> 1.29 (XDS: 0.112 / 0.333 / 0.054 / 1.25); R_meas 21.6% -> 5.3%. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01K5K8jvPPbmCrbqnWkddTuB
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.