AutoSAXS SAXS descriptor and machine-learning workflow

Curated data and code release for a SAXS descriptor-extraction and machine-learning workflow for lysozyme/EAN crystallization. The release includes the curated descriptor dataset (n = 96), representative SAXS profiles, Bragg-peak-detection and crystallinity-index scripts, an OLIGOMER command wrapper, model-evaluation outputs, hyperparameter-grid description, random-seed and train/test split definitions in the scripts, and figure source data. ATSAS/OLIGOMER is third-party software and is not redistributed.