leonarski_fandClaude Opus 5.5
b440e3792b
Without a resolution limit the outer d*^2 shells of the width measurement lie beyond the diffraction limit, where the summed intensity is noise or even negative; one such shell made the whole measurement fail, and 5 of 11 still-battery sets (sacla237, pal86, pal90, lcls242_s, lcls242_t) fell back to the per-crystal window fit. A shell now enters the fit only where its summed intensity is measured to 10 % (sum I / sigma >= 10), and at least three shells are needed. Weighting the fit by the shells' signal instead was tried and rejected: it lets the strong low-resolution shells set the width alone, and on the MicroMAX pink set the dimple R-free went 0.2442 -> 0.2748. The matrix subsets, which are cut at their resolution, are unchanged within 0.0010 dimple R-free (SwissFEL 0.2453, -C/-S 0.2513, mono 0.3188, pink 0.2442, SACLA 243 0.2455, SACLA 237 0.2327, LCLS 222 0.2335, PAL 86 0.3628). Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.