NeXusCreator

NeXusCreator is a Python-based command-line tool for converting heterogeneous experimental data into standards-compliant NeXus (HDF5) files.

Experimental instruments produce data in many incompatible formats, making long-term storage, sharing, and reproducibility challenging. NeXusCreator addresses this by automating the transformation of raw data into structured, metadata-rich NeXus files, following community standards used in photon, neutron, and muon science.

Key Capabilities

• Automated data conversion
  Convert raw files (e.g. SPEC, DTA/DAT, HDF5, TIFF) into NeXus (.nxs) format — for single files or entire directories.

• Template-based workflows
  Generate reusable .nxd definition templates directly from input data. Templates support scan expansion, prompt literals for missing metadata (placeholders flagging required manual input), and optional NXDL schema-guided field placement — enabling consistent, repeatable, and FAIR data transformations.

• Batch and large-scale processing
  Process individual files or large datasets, including combined outputs for multi-file experiments. Per-scan outputs with HDF5 external links are supported for SPEC workflows.

• Domain-specific workflows
  Built-in support for XAS (IKFT/Diamond B18), electrochemistry and operando EIS (batteries/DTA), photoemission (PEAXIS), and MPES experiments, with dedicated parsers and generators.

• Extensible plugin architecture
  A priority-based plugin system auto-discovers parsers and generators at runtime. Supporting new formats requires only a single plugin file — no core modifications.

• Standards-compliant structuring and optional validation
  Supports schema-guided placement via NXDL application definitions (e.g. NXxas), correct use of NX_class, signals, axes, and @default chains, with optional validation via punx.

• Python API and pipeline integration
  A public API (create_nexus, NeXusCreator) enables seamless integration into automated workflows and data processing pipelines.

Why NeXusCreator?

NeXusCreator bridges the gap between instrument-specific raw data and FAIR, reusable scientific datasets. It enables:

• Reproducible data pipelines
• Consistent and standards-compliant metadata integration
• Interoperable data for cross-facility use and analysis

By separating data extraction (parsers) from data structure definition (.nxd templates), NeXusCreator provides a scalable and flexible foundation for managing complex experimental data workflows.

Typical Use Cases

• Converting beamline data (SPEC, XAS, MPES, EIS) into NeXus for archiving and analysis
• Standardising electrochemical and operando experiment datasets
• Preparing data for facility data management systems and repositories (e.g. ICAT)
• Automating data pipelines in large experimental campaigns

One-Line Summary

Convert heterogeneous experimental data into standards-compliant NeXus (HDF5) files using reusable mapping templates — reproducibly and at scale.