From 704e4b4eb3291f8cf123e96c1544dd5cf83b40fd Mon Sep 17 00:00:00 2001 From: leonarski_f Date: Tue, 16 Jun 2026 20:24:01 +0200 Subject: [PATCH] Documentation: Data analysis description --- docs/CPU_DATA_ANALYSIS.md | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/docs/CPU_DATA_ANALYSIS.md b/docs/CPU_DATA_ANALYSIS.md index 2d443b67..17f7b166 100644 --- a/docs/CPU_DATA_ANALYSIS.md +++ b/docs/CPU_DATA_ANALYSIS.md @@ -11,9 +11,10 @@ This document describes the crystallographic algorithms implemented in Jungfrauj 5. Bravais lattice / centering inference, 6. geometry and lattice refinement, 7. reflection prediction (still and rotation), -8. 2D summation integration, +8. Bragg integration by either 2D summation or reference-driven profile fitting, 9. scaling and merging, -10. auxiliary statistics (Wilson plot, ⟨I/σ(I)⟩, French–Wilson). +10. merge-level error modelling and outlier rejection, +11. auxiliary statistics (Wilson plot, ⟨I/σ(I)⟩, CC1/2, CCref). ## References @@ -346,7 +347,7 @@ Refinement is performed in stages with decreasing acceptance tolerance for inclu --- -## 8. Reflection prediction +## 9. Bragg integration Jungfraujoch predicts reflection positions for integration by enumerating Miller indices within a resolution cutoff and accepting those that satisfy a diffraction condition model.