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

The RefXAS database under DAPHNE4NFDI enables users to access quality-controlled, curated X-ray absorption spectra of references along with important metadata and to share their data with the research community in easy steps.

Supporting information, sup-2 windows describes the material and specifications of the windows in the beamline.

Detectors
If IC used gases and pressure (IC: Ionization chamber) separate fields for I0 and I1 (I0: Ionization chamber before the sample, I1: Ionization chamber after the sample) If fluorescence detection type of detection

Scan parameter
Detection mode identifies the method used for detecting the synchrotron radiation.e.g.Fluorescence, Transmission, electron yield Scan mode refers to the technique employed for scanning the sample with the beam.E.g.Continuous, Steps Monochromatic flux on sample indicates the intensity of the monochromatic beam as it interacts with the sample.Beamsize on sample specifies the size of the beam when it hits the sample.
Higher harmonic content of beam actual, measured  S3 Listed are the parameters and their assigned values if they deviate from their default values of the Larch functions utilized in the automated data processing.REST Framework. Encode OSS, 2023) were used to build the web-server and provide a RESTful API.This includes the development of the front-end using Django-templates, HTML, CSS and JavaScript to provide a user-friendly, modern and responsive interface.Django 4.0 was chosen, because of its robustness, scalability and because it can handle large amount of data.The ASGI (Asynchronous Server Gateway Interface) used to serve the web-server API is Uvicorn (Uvicorn.Encode OSS., 2023), a fast and efficient server that is designed for serving APIs built with Django and Django REST framework.

SciCat (Pithan, 2023
) is an open-source software project that provides a comprehensive data management solution for the scientific community and specifically the SciCat backend-next (Pithan, 2022) component.We are currently working with the package version published on November 9th, 2022.In the context of this project, SciCat provided a centralized repository for storing and managing metadata related to any uploaded dataset.The responsible NoSQL database management system, that communicates with the SciCat API is MongoDB (MongoDB. MongoDB, Inc., 2023), where the metadata and graphs generated from the submitted data are stored in a JavaScript Object Notation (JSON)-format (Pezoa, 2016).PostgreSQL (PostgreSQL. PostgreSQL Global Development Group, 2023), an open-source relational database management system, is used to store metadata about the uploaded data-file itself, because of limitations in the SciCat API.PostgreSQL communicates via the Django REST framework with an object-storage API, where every uploaded data-file is stored in a bucket.
Because of its accessibility and user-friendliness for an object-storage provider, the first choice here was AWS-S3 (Amazon web services (Amazon S3 storage.Amazon Web Services, 2023)), while other interfaces may also be used.Since any direct communication between the web-server and the SciCat API would have failed, OpenAPI (The OpenAPI specification.The Linux Foundation, 2023), an open-source specification for RESTful APIs, was utilised to generate a client, that was customised, and functions as a bridge between the endpoints of both the SciCat API and the RefXAS API.
Further tools, that were used, are Docker (Merkel, 2014), an open-source tool for automating the deployment, scaling and management of containerized applications such as the RefXAS web-server, and Docker-compose, a tool for defining and running multi-container Docker applications.Docker-compose uses a YAML (YAML.The YAML Project, 2023) file to define all necessary services, that ought to be working together, such as:  reverse-proxy; a network service that allows incoming requests to be redirected to the regarding

Figure S3 Figure S4 Figure S5
Figure S2 EXAFS fittings for the Mo foils 1-5 in R-space.The experimental curve (black solid line) along with the theoretical fit (red dashed line) are shown in the figures.

Table S2
The table gives an overview of the up-to-date supported synchrotron beamlines for automated metadata extraction.