leonarski_fandClaude Opus 5.5
aa05882c46
EIGER2 16M, 1800 images of 0.2 deg, the same P 32 2 1 three-copy form as the other cytochrome C sets (c 86.5). XDS reference made with XDS + the Durin plugin (FRIEDEL'S_LAW=FALSE, CORRECT in 152 like the siblings, INCLUDE_RESOLUTION_RANGE 50-1.80 A where CC1/2 has fallen to 5%): ISa 22.1, CC1/2 99.9, refs rule cc_half_0.30 -> d_min 1.98 A. Same tags, hand override and rationale as cytc_x10sa; not in the ci tier. Reference model (beside the data, outside the repository): cytc_x10sa's model re-refined with phenix.refine (rigid body, sites, ADP, TLS, waters) against this set's XDS data with rugnux's free flags; XDS indexed it in the other setting of the 321 ambiguity, so the data were reindexed -h,-k,l. R-work 0.269, R-free 0.319. battery --only cytc_x10sa_mr (rc178 build): pass, merged in P 32 2 1 via the model, d_min 1.72 A, placed-model R-free 0.337. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01PXc1zD1yxHqaR1DGdCTHL4
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.