leonarski_f and Claude Opus 4.8
a74b8767de
ice rings: add --detect-ice-rings and exclude ice-ring reflections from scaling
...
jfjoch_process gains --detect-ice-rings, which (a) activates the existing spot-finder
ice flagging (ice spots de-prioritised in indexing) and (b) drops reflections sitting
on a hexagonal-ice powder ring from scaling/combine/merge/stats, via a new shared
IsOnIceRing() helper over ICE_RING_RES_A using the spot-finder's q half-width. Their
integrated intensity is contaminated by the strong, variable ice background, so leaving
them in mis-scales the whole frame and inflates the error model.
On EP0117 (ice-ring crystal): de-novo space-group determination recovers from P1 to P2
and CC1/2 improves (31->37%). Off by default; a no-op without the flag. This is the
first, non-controversial step - the residual gap needs ice-aware background/integration
(follow-up).
Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com >
2026-06-30 20:40:51 +02:00
..
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