Bragg integration: drop the 2% sigma floor and carry the background variance
Two changes to the same variance chain; they are in one commit because the second exists to remove an assumption the first was breaking, and separating them leaves a tree that is correct only by luck. The reported sigma was floored at 2% of the intensity, a per-partial I/sigma cap of 50. It applied only to the box-sum seed, never to the profile fit, so the shipped default was unaffected - but the combine back-derives each partial's non-signal variance as sigma^2 - I, and a floored sigma makes that quantity mean nothing. It then read corr^2 * (0.0004 I^2 - I), which is not a background variance. Measured on --integrator boxsum: the reported sigma understated the true scatter by up to 16x at I ~ 21000 counts per partial, and pooled_I amplified a 1 ct/px background drift into an 11.5% intensity error on the strongest reflections. What the floor stood in for - that at high intensity the error is systematic rather than counting - is already carried downstream, twice: the fitted b in v = a*sigma^2 + (b*I)^2, measured from the data rather than assumed, and SigmaWithSystematicFloor on the merged sigma. The floor was that idea applied one level too early with a hardcoded b of 0.02. It arrived without a test or a setter and was unreachable from the CLI, the API and the config. The merge now takes the non-signal variance the integrator actually measured instead of inverting sigma^2 = I + N. That identity is exact for a box sum once the floor is gone and was never exact for a profile fit, whose sigma^2 = 1/den + (wsum/den)^2 * bkg_var is formed against a fitted intensity. The value is carried through BraggFitResult, Reflection and Obs, both engines, both merges, and the process-file round trip; files written before this change are read with the term absent, which is what they had. Battery, 37 crystals, paired: space groups unchanged, reflection sets unchanged, median delta zero on R_meas and CC1/2. --integrator boxsum on the reference crystal goes ISa 8.9 -> 20.2 with a 0.947 -> 1.032. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
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@@ -29,7 +29,7 @@ class BraggIntegrationEngineGPU : public BraggIntegrationEngine {
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// --- per-reflection device arrays (grown by EnsureCapacity) ---
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CudaDevicePtr<float> d_px_x, d_px_y, d_d;
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CudaDevicePtr<int> d_cx, d_cy;
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CudaDevicePtr<float> d_I, d_sigma, d_bkg, d_bkg_var, d_obs_x, d_obs_y;
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CudaDevicePtr<float> d_I, d_sigma, d_bkg, d_bkg_var, d_var_bkg, d_obs_x, d_obs_y;
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CudaDevicePtr<float> d_isum; // box-sum raw sum, for the radial correction
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CudaDevicePtr<int> d_ninner, d_rbin;
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CudaDevicePtr<uint8_t> d_ok, d_strong, d_has_obs;
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@@ -51,7 +51,7 @@ class BraggIntegrationEngineGPU : public BraggIntegrationEngine {
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// --- host staging (copied back once per frame) ---
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std::vector<float> h_px_x, h_px_y, h_d;
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std::vector<float> h_I, h_sigma, h_bkg, h_obs_x, h_obs_y;
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std::vector<float> h_I, h_sigma, h_bkg, h_var_bkg, h_obs_x, h_obs_y;
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std::vector<uint8_t> h_ok, h_has_obs;
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void EnsureCapacity(size_t n);
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