Files
Jungfraujoch/tools
leonarski_fandClaude Opus 5.5 aa05882c46 Battery: in-house set cytc_x10sa_mr - cytochrome C from the production server's live test
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
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