image analysis: two per-image detection scores say whether there is protein and whether there is ice

proteinScore and iceScore are saturating scores in [0,1] that answer presence, not quality: a superb
crystal and a barely-diffracting one both read near 1, and neither the spot count nor the resolution
enters either of them as a term. iceRingScore already reports a magnitude - a ratio, unbounded - which
is not a number that can be thresholded; these are.

The protein score counts distinct d SHELLS above 5 A rather than spots, so a parasitic ring in the
low-resolution band cannot accumulate evidence, and weights each spot against the frame's own median
so a scattering of the weakest detections cannot fill a shell either. The ice score carries two
channels and takes the stronger: a radial one over the azimuthal profile, which runs the hexagonal
and the CUBIC phase as separate hypotheses and decides between them at the end (flash-cooled loops
show cubic or stacking-disordered ice at least as often as hexagonal, the two share only three
lines, and dropping the cubic hypothesis costs about 5 pp on iced loops), and a spot one that reads
an excess on the ice radii against the same band slid to every ice-free offset, which is what
catches ice arriving as discrete crystallites and leaving the radial profile flat.

Both read d out of the geometry, so both move with a beam-centre error; the centre is not fitted
here, and the one they were computed with is written beside them as scoreBeamCenterX/Y so a later
rescoring can tell an algorithm disagreement from a geometry one.

Ported from validated prototypes and checked against them frame by frame on stored data: mean
absolute difference 2.7e-5 (protein), 1.3e-8 (ice radial) and 3.4e-4 (ice spots). On a 41-loop
battery the protein score reaches 98.4% of confirmed-protein frames and 0.00% of water frames, and
finds no cluster on any water or ice raster. Cost is 0.01 ms/frame for the protein score and
0.08-0.32 ms/frame for the ice score.

Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N

image_analysis/MXAnalysisWithoutFPGA.cpp

@@ -10,6 +10,7 @@
 #include "../compression/JFJochDecompress.h"
 
 #include "spot_finding/SpotUtils.h"
+#include "IceScore.h"
 #include "bragg_prediction/BraggPredictionFactory.h"
 #include "image_preprocessing/ImagePreprocessorCPU.h"
 
@@ -291,6 +292,13 @@ void MXAnalysisWithoutFPGA::Analyze(DataMessage &output,
     output.ice_ring_score = AzimuthalIntegrationProfile::IceRingScore(
             have_ring_bkg ? ring_bkg : profile.GetResult1D(), integration.GetQBinCount(),
             integration.Settings(), spot_finding_settings.ice_ring_width_Q_recipA);
+
+    // The ice DETECTION score, unlike the ratio above, reads the plain profile: it measures each band
+    // against the profile's own standard deviation, which the peak-excluded ring background does not
+    // carry. Its second channel reads the spots, which SpotAnalyze has already put in the message.
+    output.ice_score = IceScore(output.az_int_profile, output.az_int_profile_std,
+                                output.az_int_profile_count, integration.GetQBinCount(),
+                                integration.Settings(), output.spots);
 }
 
 ImageSpotFinder &MXAnalysisWithoutFPGA::FixedThresholdFinder() {