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

common/ScanResultGenerator.cpp

@@ -64,6 +64,8 @@ void ScanResultGenerator::Add(const DataMessage &message) {
         v[image_number].image_scale_factor = message.image_scale_factor;
         v[image_number].image_scale_cc = message.image_scale_cc;
         v[image_number].ice_ring_score = message.ice_ring_score;
+        v[image_number].protein_score = message.protein_score;
+        v[image_number].ice_score = message.ice_score;
         if (message.lattice_type)
             v[image_number].niggli_class = message.lattice_type->niggli_class;
     }
@@ -110,6 +112,8 @@ void ScanResultGenerator::FillEndMessage(EndMessage &message) const {
     message.image_scale_factor.resize(n);
     message.image_scale_cc.resize(n);
     message.ice_ring_score.resize(n);
+    message.v_protein_score.resize(n);
+    message.v_ice_score.resize(n);
     message.integrated_reflections.resize(n);
     message.niggli_class.resize(n);
     message.pixel_sum.resize(n);
@@ -142,6 +146,8 @@ void ScanResultGenerator::FillEndMessage(EndMessage &message) const {
         message.image_scale_factor[number] = e.image_scale_factor.value_or(NAN);
         message.image_scale_cc[number] = e.image_scale_cc.value_or(NAN);
         message.ice_ring_score[number] = e.ice_ring_score.value_or(NAN);
+        message.v_protein_score[number] = e.protein_score.value_or(NAN);
+        message.v_ice_score[number] = e.ice_score.value_or(NAN);
         message.integrated_reflections[number] = static_cast<int32_t>(value_or_zero(e.integrated_reflections));
         message.niggli_class[number] = static_cast<uint8_t>(value_or_zero(e.niggli_class));
         message.pixel_sum[number] = value_or_zero(e.pixel_sum);