integration: add --reciprocal-profile dial (global reciprocal-space width)

The per-shell profile width is learned in pixels, so it varies ~4x with resolution
(mostly the geometric projection of a near-constant reciprocal-space relrod) and must
be binned per shell -> it starves at high resolution / on sparse data. The new
--reciprocal-profile flag instead learns ONE global width in reciprocal space,
sigma2_q,tan = A + B|q| + C|q|^2: the Jacobian g_tan=cos(2theta) removes the geometric
projection, and C|q|^2 is the crystal mosaicity relrod (variance ~(eta|q|)^2). Applied
per reflection as sigma2_tan,px = (A + B|q| + C|q|^2)/g_tan^2 (B,C clamped >=0;
quadratic->linear->constant fallback).

Off by default. On the sharp HEWL test crystal (mosaicity 0.091deg, so C fits to ~0 and
it reduces to the validated linear form) it is metric-neutral: ISa 16.2->16.3, anomalous
0.92x unchanged, CCref band 90.0->89.9, CC1/2 a touch lower (per-shell isn't starved at
23k spots/shell, and a global fit is less flexible). So: simpler + more transferable at a
small CC1/2 cost, ISa/anomalous held. Its payoff is on MOSAIC crystals (large C|q|^2),
where per-shell starves on the wide weak high-res spots and 6 shells are too coarse; both
lyso test crystals are sharp, so it ships as a dial to try on mosaic data elsewhere.
A separate radial relrod fit was tried and dropped (no gain). See NEXTGEN_INTEGRATOR.md.

Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>

tools/jfjoch_process.cpp

@@ -72,6 +72,7 @@ void print_usage() {
     std::cout << "   --bandwidth <num>               Relative X-ray bandwidth FWHM (e.g. 0.01 for 1% DMM); default from file or 0" << std::endl;
     std::cout << "   --integration-radius <r>        Signal-box radius r1, or r1,r2,r3 (px). One value => r2=r1+2, r3=r1+4" << std::endl;
     std::cout << "   --integrator <txt>              Spot integrator boxsum|gaussian|empirical (default: gaussian profile-fit; boxsum is the classical fallback)" << std::endl;
+    std::cout << "   --reciprocal-profile            Learn one global reciprocal-space profile width (A+B|q|+C|q|^2) instead of per-shell; helps mosaic/sparse data" << std::endl;
     }
 
 enum {
@@ -97,7 +98,8 @@ enum {
     OPT_SCALE_FULLS,
     OPT_CAPTURE_UNCERTAINTY,
     OPT_MOSAICITY,
-    OPT_SMOOTH_G
+    OPT_SMOOTH_G,
+    OPT_RECIPROCAL_PROFILE
 };
 
 static option long_options[] = {
@@ -142,6 +144,7 @@ static option long_options[] = {
     {"bandwidth", required_argument, nullptr, OPT_BANDWIDTH},
     {"integration-radius", required_argument, nullptr, OPT_INTEGRATION_RADIUS},
     {"integrator", required_argument, nullptr, OPT_INTEGRATOR},
+    {"reciprocal-profile", no_argument, nullptr, OPT_RECIPROCAL_PROFILE},
     {"reject-outliers", required_argument, nullptr, OPT_REJECT_OUTLIERS},
     {"reject-delta-cchalf", required_argument, nullptr, OPT_REJECT_DELTA_CCHALF},
     {nullptr, 0, nullptr, 0}
@@ -314,6 +317,7 @@ int main(int argc, char **argv) {
     std::optional<float> d_min_scale_merge;
     std::optional<std::string> integration_radius_arg; // "r1" or "r1,r2,r3"
     std::optional<IntegratorMode> integrator_mode;     // --integrator boxsum|gaussian|empirical
+    bool reciprocal_profile = false;                   // --reciprocal-profile
     std::optional<double> outlier_reject_nsigma;       // merge per-observation outlier rejection
     std::optional<double> delta_cchalf_nsigma;         // per-crystal CC1/2-delta rejection
 
@@ -535,6 +539,9 @@ int main(int argc, char **argv) {
             else if (strcmp(optarg, "empirical") == 0) integrator_mode = IntegratorMode::ProfileEmpirical;
             else { logger.Error("--integrator expects boxsum|gaussian|empirical"); return 1; }
             break;
+        case OPT_RECIPROCAL_PROFILE:
+            reciprocal_profile = true;
+            break;
         case OPT_REJECT_OUTLIERS:
             outlier_reject_nsigma = std::stod(optarg);
             break;
@@ -773,6 +780,13 @@ int main(int argc, char **argv) {
                     : "profile (empirical)");
     }
 
+    if (reciprocal_profile) {
+        BraggIntegrationSettings bis = experiment.GetBraggIntegrationSettings();
+        bis.ReciprocalProfile(true);
+        experiment.ImportBraggIntegrationSettings(bis);
+        logger.Info("Reciprocal-space global profile width enabled (per-shell width replaced)");
+    }
+
     SpotFindingSettings spot_settings;
     spot_settings.enable = true;
     spot_settings.indexing = true;