XASDB: a new database of experimental interactive X-ray absorption spectra.

Abstract

We present a dedicated and comprehensive database for experimental X-ray absorption spectroscopy (XAS) data, an integrated and user-friendly platform that combines spectrum visualization, raw data processing, spectrum matching and downloading, thereby offering a holistic solution for understanding XAS data. Leveraging the unique nature of XAS data, we have designed the MySQL table structure and developed professional plotting tools to present the data. Furthermore, the database - named XASDB - incorporates a variety of data processing tools, including data normalization as well as flexible searching and downloading options. A toolkit called XASMatch is integrated in the platform, enabling users to identify the most similar spectra within the database to their input spectra and rank with scores. An API interface is also provided to facilitate sharing data with other XAS databases and users. A total of 152 spectra measured at Beijing Synchrotron Radiation Facility for metals, oxides and minerals standards are included in the database. Applications integrated with artificial intelligence are advancing, since more high solution spectra with new standards will be available after operation of a high energy photon source to be commissioned at the end of the year.