Diagnosing and narrowing the simulation-to-real gap in powder X-ray diffraction with a wet-dry agentic loop

Powder X-ray diffraction (PXRD) is the routine probe of crystalline matter, yet its analysis is the rate-limiting step as laboratories automate acquisition. Deep-learning analyzers excel on simulated patterns and degrade on measured ones. This simulation-to-real gap is structural, not additive: synt