leonarski_fandClaude Opus 5.5
4ec197c68c
The multiplicative outlier band (c8de5f8d6) took its width from the error model's b. b is a Gaussian width in I and grows with whatever tail the fulls have: on a low-ISa hexagonal small-molecule set with a population of fulls lost to near zero, b = 0.54 against a core ln-spread of 0.25, and exp(6 b) = 25 let the high outliers of the weak reflections through (SHELXL R1 0.191 -> 0.333 there, 0.111 -> 0.124 on its 25 keV sweep). The spread is now measured on the merge's own fulls: the weighted median of |ln(I / median)|, weighted by (<I>/sigma_counting)^2 so the fulls whose ratio counting noise does not blur carry it; b remains the fallback where nothing can be measured. Battery (29 sets: 13 small-molecule, 16 protein), SHELXL R1 against the median fix alone: the strongly absorbing cubic set 0.116 -> 0.0998 (b-band 0.103); the low-ISa hexagonal set 0.191 -> 0.174 at 20 keV, 0.111 -> 0.101 at 25 keV; organics within +-0.0003 or better (cytidine 0.0617 -> 0.0613, lalanine 0.0541 -> 0.0533). Proteins unchanged except two low-ISa sets whose CC1/2 cutoff moves: 6yqf 3.32 -> 2.89 A (placement R-free at a fixed 3.32 A 0.4329 -> 0.4326, at 2.89 A 0.4642 -> 0.4630), and the split myoglobin set 1.77 -> 1.94 A (low-resolution R_meas 33.0% -> 27.3%). Private subset: two sets' R_meas lower, the rest unchanged. 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.