An open access, integrated XAS data repository at Diamond Light Source. (October 2020)

• Record Type: Journal Article
• Authors: Cibin, Giannantonio; Gianolio, Diego; Parry, Stephen A.; Schoonjans, Tom; Moore, Oliver; Draper, Rachael; Miller, Laura A.; Thoma, Alexander; Doswell, Claire L.; Graham, Abigail
• Is Part Of: Radiation physics and chemistry. Volume 175(2020:Oct.)
• Publication Date: 2020-10
• Subjects: Radiation chemistry -- Periodicals; Radiometry -- Periodicals; Radiation -- Periodicals; Chimie sous rayonnement -- Périodiques; 539.2
• DOI: 10.1016/j.radphyschem.2019.108479
• Languages: English
• ISSNs: 0969-806X

Abstract

Abstract: The analysis of reference materials is a fundamental part of the data analysis process, in particular for XAS experiments. The beamline users and more generally the XAS community can greatly benefit from the availability of a reliable and wide base of reference sample spectra, acquired in standard and well-characterized experimental conditions. On B18, the Core EXAFS beamline at the Diamond Light Source, in the past years we have collected a series of XAS data on well characterized compounds. This work constitutes the base for a reference sample database, available as a data analysis tool to the general XAS community. This data repository aims to complement the bare spectroscopic information with characterisation, preparation, provenance, analysis and bibliographic references, so improving the traceability of the deposited information. This integrated approach is the base of success and wide distribution of data repositories in other fields, and we hope it will provide on one side a precious facility for the training of students and researchers new to the technique, and at the same time encourage the discussion of best practices in the data analysis process. The database will be open to the contribution of experimental data from the user community, and will provide bibliographic reference information and access control. Highlights: We present a new repository for XAS reference data, hosted at Diamond Light Source. Deposition mechanism is designed to encourage data sharing by the user community. Database clarifies the licencing conditions and adds bibliographic referencing. Records will contain data from complementary techniques and data analysis results.