Related Experiment Video
Updated: Jun 15, 2025

Biological Samples Preparation for Speciation at Cryogenic Temperature using High-Resolution X-Ray Absorption Spectroscopy
Published on: May 27, 2022
RefXAS: an open access database of X-ray absorption spectra
Sebastian Paripsa1, Abhijeet Gaur2, Frank Förste3
1Fk. 4, Physik, Bergische Universität Wuppertal, Gaußstraße 20, D-42097 Wuppertal, Germany.
Abstract:
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 storage, with automated query capabilities through a web server and visualization of the data and files. Based on the mode of measurements, quality criteria have been formulated for the automated check of any uploaded data. In the present work, the significant metadata fields for reusability, as well as reproducibility of results (FAIR data principles), are discussed. Quality criteria for the data uploaded to the database have been formulated and assessed. Moreover, the usability and interoperability of available XAS data/file formats have been explored. The first version of the RefXAS database prototype is presented, which features a human verification procedure, currently being tested with a new user interface designed specifically for curators; a user-friendly landing page; a full list of datasets; advanced search capabilities; a streamlined upload process; and, finally, a server-side automatic authentication and (meta-) data storage via MongoDB, PostgreSQL and (data-) files via relevant APIs.
Related Concept Videos
X-ray Diffraction of Biological Samples
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are scattered by the electron clouds around the sample atoms. The X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
Atomic Spectroscopy: Absorption, Emission, and Fluorescence
Atomic Absorption Spectroscopy: Overview
When irradiated by EMR of a particular wavelength, these...
Atomic Absorption Spectroscopy: Radiation and Light Sources
Two common narrow-range 'line' sources used in AAS are hollow-cathode lamps (HCLs) and...
Atomic Absorption Spectroscopy: Lab
Solutions containing organic solvents, such as low-molecular-mass alcohols, esters, or ketones, enhance absorbances by increasing...
Atomic Emission Spectroscopy: Overview

