NOBUGS 2026

Our group at RWTH Aachen University is dedicated to advancing neutron time-of-flight (TOF) powder diffraction methods, particularly in relation to the POWTEX diffractometer at MLZ [1] and the DAPHNE4NFDI consortium. Both initiatives aim to extend the developed methodologies across suitable TOF diffractometers also on other sources. A key part of our work is the continuous development and...

Rising data collection rates from XFELs and synchrotrons necessitate compression techniques to support long-term storage of large datasets, especially for crystallography. To address this, we developed an end-to-end workflow that tests sparsification of diffraction images validated with DIALS processing and iterative merging in the cctbx.xfel suite. At the pixel level, a convolutional...

NeXus application definitions are the standard data format being adopted for all beamlines and experiments at BESSY-II. These definitions map a generic dataset, consisting of a collection of devices and their acquired data, onto a specific experimental technique or combination of techniques. When the devices are represented as instances of NeXus device base classes, this mapping requires only...

Unlocking the potential of experimental data, our project enhances the findability of experimental datasets across photon and neutron (PaN) facilities and materials science laboratories through a foundational classification of experimental techniques. The integration of the PaNET ontology with the NeXus Ontology enables the establishment of a foundational classification of PaN experiment...

At MAX IV, azimuthal integration is a key step in transforming detector data into scientifically usable one- and two-dimensional datasets. To support both real-time feedback during experiments and reproducible post-processing, we have developed integrated workflows operating in both online and offline environments.
Central to this work are the application definitions NXazint1d and NXazint2d,...

The FAIRmat consortium develops an open, interoperable research data infrastructure for computational and experimental materials science, with a strong focus on implementing the FAIR principles across heterogeneous workflows. Within this context, NeXus serves as an important standard for structuring experimental data in the NOMAD platform.
We present how NeXus is integrated into NOMAD’s...

Benefitting from being a greenfield site, ESS uses NeXus exclusively for data capture. Files are templated using a JSON schema, and populated using data consumed from a Kafka instance via bespoke software 'kafka-to-nexus'. This system provides a common, repeatable, and parallel system for data capture and retention.

Although no spallation neutrons have yet been produced on site, the data...

NeXusCreator is a Python tool developed at HZB for converting experimental data into standards-compliant NeXus/HDF5 files. Its central design principle — separating instrument definition from data conversion — allows Data Stewards to encode NeXus structure in a concise definition file (.nxd) without programming. The NeXusCreator Assistant, a ChatGPT based tool in testing phase, supports users...

A critical gap in scientific data management is targeted by the project Operando4NeXus by investigating a standardised approach for storing sample environment and lab-based experimental data within the NeXus format. Despite being an international standard for neutron, x-ray, and muon data, NeXus presently lacks comprehensive methods for representing complex multimodal operando sample...

The h5cpp library developed by DESY and ESS is a C++ wrapper for the HDF5 library. Using modern C++ features it simplifies creation of HDF5 files via wrapping pointers in c++ class objects and mapping HDF5 datatypes and dataspaces to native C++ datatypes and containers.

The C++ libpninexus library adds a set of advance tools. In particular, it offers an file structure builder from XML...

MLZ is transitioning to the NeXus data format (https://nexusformat.org) as part of its commitment to FAIR data principles. Being a standardized data format, NeXus format is essential for ensuring interoperability among various facilities and users. It includes domain-specific structures for data and metadata defined by the scientific community that allows for a sufficient level of data...