Curve comparison summary
========================
Points used: 8
Scale factor applied to simulation: 0.986839
RMSE: 0.926511
MAE: 0.786162
RMS relative error: 0.0466364
Reduced chi-like score: 0.214606
Worst mismatch at q=0.3: delta=-1.78967, rel=-0.0293389
Low-q mean |relative delta|: 0.0123289
Mid-q mean |relative delta|: 0.0139696
High-q mean |relative delta|: 0.0683858

Bias interpretation:
- High-q mismatch dominates: check local packing, hydration layer, force field, or atom form factors.
- Overall agreement is good; deviations are within ~10% at the worst sampled q point.
