A metadata schema for chemical X-ray diffraction data in Dataverse

Single-crystal X-ray diffraction~(SC-XRD) is central to molecular structure determination. Refined crystal structures are well supported by established standards such as the Crystallographic Information Framework~(CIF) and by dedicated repositories including the Cambridge Structural Database~(CSD) and the Crystallography Open Database~(COD). In contrast, the corresponding raw diffraction images remain less well covered. Raw images are often deposited in generic or institutional repositories that lack structured, crystallography-specific metadata fields. This results in incomplete or inconsistent metadata, limiting the findability, interpretability, and reusability of raw diffraction datasets. This poster presents a metadata schema for describing crystallographic raw diffraction data in Dataverse.