BraggPrediction: Include X-ray bandwidth

2026-06-09 15:01:44 +02:00
parent 6af22b6a0c
commit 6c85aaba2b
6 changed files with 50 additions and 7 deletions
@@ -289,7 +289,9 @@ void IndexAndRefine::QuickPredictAndIntegrate(DataMessage &msg,
        .max_hkl = 100,
        .centering = outcome.symmetry.centering,
        .wedge_deg = std::fabs(wedge_deg),
-        .mosaicity_deg = std::fabs(mos_deg)
+        .mosaicity_deg = std::fabs(mos_deg),
+        // FWHM -> sigma; 0 when monochromatic, leaving the prediction unchanged.
+        .bandwidth_sigma = experiment.GetBandwidthFWHM().value_or(0.0f) / 2.3548f
    };

    // Select the integration path: classical 2D integration, or the experimental