The Research Data Management (Forschungsdatenmanagement, FDM) team at HZB is currently involved in a wide variety of projects to benefit both our own institute and the wider PaN community. We are active within both the DAPHNE4NFDI consortium and the ICAT Project, and are a cornerstone of the Helmholtz ROCK-IT project. We are developing our own software solutions – such as the NeXusCreator file...
X-ray Photon Correlation Spectroscopy (XPCS) is an experimental technique used to study protein and molecular dynamics on length scales ranging from angstroms to micrometers. The unique properties of the pulses from the European X-ray Free Electron Laser (EuXFEL), such as exceptional transverse coherence and megahertz (MHz) repetition rate, have made it possible to investigate the collective...
In Germany alone, approximately 5500 scientists generate 28 petabytes of data each year using Photons and Neutrons Experimental Techniques (PaNET). Such a large volume of data needs to be catalogued in a meaningful way to ensure Findable, Accessible, Interoperable and Reusable (FAIR) data [1]. To adhere to the FAIR data principle, an ontology of Photon and Neutron (PaN) experimental techniques...
The CDIF-4-XAS project - Describing X-Ray Spectroscopy Data for Cross-Domain Use, will enable new science by making it easier to access, combine and reuse XAS data across research infrastructures (RIs) and disciplines.
CDIF-4-XAS will enhance the interoperability and reusability of XAS data by applying the Cross-Domain Interoperability Framework (CDIF), a set of guidelines and practices for...
Continuous Integration and Continuous Deployment is a modern Software Engineering best practice that enables efficient large scale software development and use. There are a variety of popular Ci/CD tools that help in adopting these practices. In this poster we focus on the kinds of software, their runtime environments,packaging and deployment tools and techniques used at DESY...
Come and see the most recent overview of work of the consortium DAPHNE4NFDI!
Note: This poster was shown at the DFG Interim report symposium in Bonn on 14th of February 2025.
Thanks to all of you who have contributed!
*This work was supported by the consortium DAPHNE4NFDI in the context of the work of the NFDI e.V. The consortium is funded by the DFG - project number 460248799. In-kind...
For a ROCK-IT thermal catalysis experiment, the (meta)data lifecycle in the facility begins with the initial proposal and extends through the entire investigation, culminating in the archiving and cataloguing of the (meta)data. At all stages, coherence between data and metadata is vital. We are using a combination of established systems and new initiatives to achieve a comprehensive framework...
The structure determination pipeline of a polycrystalline sample from its powder diffraction measurement has several adjunct steps, which are as follows: background removal, peak finding, indexing, database matching, extinction and space group(s) determination, atom type and position determination, and finally Rietveld refinement. Experienced users employ various well-established...
DECTRIS Cloud is a web-based platform designed to accelerate scientifi c research by providing seamless integration of custom and sharable software, ready-to-use workfl ows, and powerful collaboration tools. Researchers can develop and share tailored software, while leveraging a comprehensive set of pre-built workfl ows and tools. This signifi cantly reduces setup time, allowing scientists to...
Research data management (RDM) on the scale of university facilities in contrast to largescale facilities has different requirements and challenges. First and foremost are the need to catalogue data from a large variety of different techniques and instruments as well as reliably document the work of frequently changing researchers and projects. For this reason, the ICSP@FAU group within use...
Newton, when seeing further, stood on the shoulder of giants,[1] not on the piles of his predecessors‘ crufty research data. Nearly 300 years later, Richard Feynman coined the term “cargo cult science” for research that appears scientific but has no scholarly contribution nor impact.[2] With all the current hype about research data management, we tend to forget that science is about gaining...
SEPIA (Sample Essentials, Persistent Identifiers & Attributes System):
The overall goal of the SEPIA project is to enrich the research data collected at the Helmholtz-Zentrum Berlin (HZB) by providing a better description of the sample being measured. The key for this endeavour is to track the full history of the sample and to collect all the information generated on the way. To this...
The Helmholtz Metadata Collaboration (HMC) conducted a comprehensive Data Professionals Survey in 2024 to assess the current state of research data management practices across the Helmholtz Association of German Research Centers. As a number of German large scale facilities are operated by the Helmholtz Association, this study is of particular relevance to the photon and neutron communities...
Our group specializes in the development of neutron powder diffraction methods, primarily utilizing the neutron time-of-flight diffractometer POWTEX, which was developed in collaboration with Forschungszentrum Jülich at FRM-II in Garching. As part of the DAPHNE4NFDI project, we are expanding these methodologies to enhance their applications, with a strong emphasis on sustainability.
We are...
One of the main goals of TA4 is effective science communication and outreach for maximizing the impact of DAPHNE4NFDI. For managing the outreach activities with less time and sources we explore the integration of Large Language Models (LLMs) to automate key aspects of outreach in TA4 at DAPHNE4NFDI.
We propose an LLM-driven workflow for automatization of (1) event summarization, generating...
To support the principles of FAIR data, the Small Angle Scattering Biological Data Base (SASBDB) serves as a platform to make biological SAXS and SANS data more accessible and findable [1]. Within the SASBDB framework, experimental data can be deposited alongside relevant experimental conditions, sample details, and instrument characteristics, ensuring comprehensive documentation for future...
Helmholtz-Zentrum Hereon operates multiple X-ray diffraction (XRD) experiments for external users and while the experiments are very similar, their analysis is not. The variety in data analysis workflows is challenging for creating FAIR analysis workflows because a lot of the analysis is traditionally done with small scripts and not necessarily easily reproducible.
Pydidas [1, 2] is a...
Abstract: Under the DAPHNE4NFDI consortium, RefXAS has been established as a comprehensive open-access reference database for X-ray absorption spectroscopy (XAS), addressing the need for high-quality reference data with well-documented metadata. The platform provides a structured web interface for data submission, automated metadata handling, and quality control to ensure compliance with...
The Sample Environment Communication Protocol (SECoP) provides a generalized way for controlling measurement equipment – with a special focus on sample environment (SE) equipment [1,2]. In addition, SECoP holds the possibility to transport SE metadata in a well-defined way.
SECoP is designed to be
- simple to use,
- inclusive concerning different control systems and control philosophies...
Our digital labbook collects diverse user-submitted data, which demands a validation and standardization approach that is both flexible and robust. We leverage JSON Schemas as the backbone of our system to enforce data validity while accommodating a wide range of input formats. In this talk, we provide an primer on JSON Schemas and demonstrate how they are used to standardize user-facing...
Efficient data management and analysis are essential for large-scale experiments at synchrotron facilities. At P10, DESY, the SciCat platform has been implemented to provide a FAIR (Findable, Accessible, Interoperable, Reusable) data management solution for SAXS/XPCS experiments. The successful installation of the SciCat ingestor and a test instance marks significant progress, with plans to...
