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Documentation: Data analysis description
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leonarski_f
2026-06-16 20:24:01 +02:00
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docs/CPU_DATA_ANALYSIS.md
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@@ -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.