Open Databases for crystallography and other techniques

Session

Spectroscopy Open Databases

Sep 23, 2024, 4:00 PM

4. Integrated XAFS Databases for Data-Driven Advances in Material Science.

Takahiro Matsumoto (Japan Synchrotron Radiation Research Institute)

9/23/24, 4:00 PM

The advancement of data-driven approaches in materials research emphasizes the critical role of data integration. In the realm of X-ray absorption spectroscopy (XAFS), effective data sharing and integration enhance the reliability of results, revealing intricate atomic-scale structures and electronic states. The MDR XAFS DB project, a collaboration among leading research institutes, leverages...

5. Databases supporting X-ray optics simulations

Manuel Sanchez del Rio (ESRF)

9/23/24, 4:30 PM

We summarize here different databases (DABAX, xraylib, DABAM) that have been
developed to support our activity in X-ray simulations over two decades. DABAX (DAtaBAse for X-ray applications) is a compilation of tables for x-ray applications. DABAX was created to unify the tabulated data for scattering factors, x-ray atomic cross-sections, refraction indices, structure of crystals used for...

6. RefXAS: an open access database of X-ray absorption spectra

Sebastian Paripsa (Uni Wuppertal)

9/23/24, 4:50 PM

Under DAPHNE4NFDI, the X-ray absorption spectroscopy (XAS) reference database, RefXAS, has been set up. For this purpose, we developed a method to enable users to submit a raw dataset, with its associated metadata, via a dedicated website for inclusion in the database. Implementation of the database includes an upload of metadata to the scientific catalogue and an upload of files via object...