We have X-ray (adsorption/photoelectron) spectra from various source. Here, we will investigate how we can map them to a crystal structure.
Initial focus will be on papers digitized from the literature. There me need to first make the mapping between the caption and a structure/composition/preparation. Once we have this, we need to fuzzy match (if not CIF or CSD/COD link is available) to some potential crystal structures.