Speaker
Description
Abstract:
With advancements in the sensitivity of present synchrotron facilities and the refinement of analytical methods, X-ray based techniques have become a standard approach for the structural characterization of intricate solid material systems. X-ray absorption spectroscopy (XAS) stands out as one of the most effective methodologies utilized for the analysis of various functional materials. Within DAPHNE4NFDI, RefXAS serves as a pioneering reference database in the field of XAS, developed to enhance scientific research through a sophisticated platform for both submitting and accessing high-quality XAS data. Analysis of XAS data requires comparison with previously measured experimental/simulated reference spectra. Reference data is essential for data evaluation and therefore, a curated database that offers high-quality reference data is required. In order to achieve that, our system has the ability to execute quality control in the background, i.e. during uploading, predefined quality criteria are checked automatically. Furthermore, RefXAS includes raw and processed data, an intuitive interface for uploading and evaluating the data along with their comprehensive metadata via a dedicated website. Our database supports various data formats from diverse XAS setups, including synchrotron and laboratory instruments, which aids in standardizing data handling within the community while promoting FAIR principles. The classification of the metadata fields for reporting/uploading any data enhances the traceability and usability of data. The current prototype features a human verification procedure, currently being tested with a new user interface designed specifically for curators, a user-friendly landing page, a full listing of datasets, advanced search capabilities, a streamlined upload process, and finally, a server-side automatic authentication and (meta-)data storage via MongoDB, PostgreSQL, and and (data-) files via relevant APIs. In the present work, the different features of the RefXAS interface have been presented.