Making electrochemical data FAIR-compliant
A tool for generating FAIR (Findable, Accessible, Interoperable, Reusable) metadata for electrochemical experiments.
FAIR data, electrochemistry, metadata generation, cyclic voltammetry, electrochemical impedance spectroscopy, differential pulse voltammetry, square wave voltammetry, chronoamperometry, EMMO ontology, scientific data management, research reproducibility
- Making electrochemical research data FAIR-compliant
- Automated metadata generation for CV, EIS, DPV, SWV, CA experiments
- Research data management for electrochemistry laboratories
- Preparing data for scientific repositories and publications
EChem FAIRifier transforms raw electrochemical data into FAIR-compliant datasets with comprehensive metadata, automated validation, and complete documentation. Built for the electrochemistry community to improve data sharing, reproducibility, and collaboration.
👉 Read my Substack post: The Missing Infrastructure Problem
Visit the Live Demo - no installation required!
# Clone the repository
git clone https://github.com/haghighatbin/echem-fairifier.git
cd echem-fairifier
# Install dependencies
pip install -r requirements.txt
# Run the application
streamlit run run_app.py- Cyclic Voltammetry (CV) - Full parameter validation and visualisation
- Electrochemical Impedance Spectroscopy (EIS) - Nyquist plot generation
- Differential Pulse Voltammetry (DPV) - Pulse parameter optimisation
- Square Wave Voltammetry (SWV) - Frequency domain analysis
- Chronoamperometry (CA) - Time-based measurements
- Findable: Unique identifiers, rich metadata, controlled vocabularies
- Accessible: Open formats (CSV, YAML), standard protocols
- Interoperable: EMMO ontology integration, JSON schema validation
- Reusable: Clear licensing, attribution, comprehensive documentation
- Intuitive UI with guided workflows and progress tracking
- Robust error handling that never crashes, always recovers
- Flexible data import supporting various CSV formats and encodings
- Real-time validation with actionable feedback and suggestions
- Beautiful visualisations with automatic plot generation and fallbacks
- YAML metadata following international standards
- FAIR bundles (ZIP) with data, metadata, and documentation
- Citation files (CFF) for academic attribution
- README generation with usage instructions
Your FAIR bundle contains everything needed for data sharing and publication:
your-experiment-FAIR-bundle.zip
├── data/
│ └── your_original_data.csv # Original uploaded file
├── metadata/
│ ├── metadata.yaml # Complete FAIR metadata with compliance scores
│ └── CITATION.cff # Citation file for dataset attribution
└── documentation/
└── README.md # Experiment documentation and usage guide
-
Upload to Zenodo/Figshare:
- Create new upload
- Drag entire ZIP file
- Copy metadata from
experiment_metadata.yaml - Publish with DOI
-
GitHub/GitLab Data Repository:
- Extract bundle contents
- Add your own visualisations to a plots/ or figures/ folder
- Commit to version control
- Tag release with version number
- For Papers: Copy citation from
CITATION.cff - For Data Availability Statements: Use generated DOI
- For Methods Sections: Reference
methodology.md
Check the fair_compliance section in metadata.yaml for:
- FAIR Compliance: All four principles addressed (Findable, Accessible, Interoperable, Reusable)
- EMMO Integration: Controlled vocabulary terms and mappings
- Completeness: Ensure all required experimental parameters are documented
- Include the entire bundle when sharing data
- Add your own publication-ready plots before repository submission
- Always reference the DOI in publications
- Credit EChem FAIRifier in acknowledgments
- Share feedback for tool improvement
Questions? Check our User Guide or open an issue.
Potential (V),Current (A),Cycle
-0.2,1.2e-6,1
0.0,2.5e-6,1
0.2,5.1e-6,1
...- Select technique (e.g., Cyclic Voltammetry)
- Set parameters (scan rate, potential window)
- Add experimental details (electrodes, electrolyte)
- Automated metadata generation with EMMO vocabulary
- Comprehensive validation with FAIR scoring
- Download complete package with documentation
EChem FAIRifier/
├── User Interface (Streamlit)
├── Core Engine
│ ├── Metadata Generator (FAIR compliance)
│ ├── Validator (Quality assessment)
│ └── EMMO Integration (Controlled vocabulary)
├── Configuration (Technique definitions)
└── Data Processing (Plotting & analysis)
- Unique identifiers (UUID) for each experiment
- Rich metadata with technique-specific parameters
- Controlled vocabularies using EMMO electrochemistry domain
- Searchable attributes with standardised terminology
- Open formats (CSV for data, YAML for metadata)
- Standard protocols (HTTP download, ZIP packaging)
- Multiple encodings support for international data
- Clear access instructions in generated documentation
- EMMO ontology integration for semantic interoperability
- JSON schema validation for metadata structure
- Standard vocabularies for technique parameters
- Cross-platform compatibility (Windows, macOS, Linux)
- Open licensing options (CC-BY-4.0, MIT, etc.)
- Complete attribution with ORCID integration
- Comprehensive documentation auto-generated
- Citation files (CFF) for academic use
- Reduce metadata overhead - automated generation saves hours
- Improve reproducibility - standardised documentation
- Enable collaboration - interoperable data formats
- Accelerate publication - citation-ready outputs
- Meet FAIR requirements for funding agencies
- Improve data management practices
- Enable data sharing with confidence
- Support open science initiatives
- Standardise practices across electrochemistry
- Enable meta-analyses with consistent metadata
- Improve data discovery through better indexing
- Accelerate research through data reuse
We welcome contributions from the electrochemistry community!
- 🐛 Report bugs - Help us improve reliability
- 💡 Request features - Suggest new techniques or capabilities
- 📖 Improve docs - Make the tool more accessible
- 🔬 Add techniques - Expand instrument support
- 🧪 Provide test data - Help validate functionality
- Read our Contributing Guide
- Check open issues
- Join discussions in GitHub Discussions
- User Guide - Complete usage instructions
- Contributing - How to contribute
- API Reference - Developer documentation
- Examples - Sample data and tutorials
- ✅ Core FAIR metadata generation
- ✅ Five major electrochemical techniques
- ✅ EMMO ontology integration
- ✅ Professional web interface
- 🔄 Additional techniques (LSV, NPV, SECM)
- 🔄 Instrument integration (Gamry, BioLogic, Zahner)
- 🔄 API development for programmatic access
- 🔄 Batch processing for multiple files
- 🔄 Advanced analytics and quality metrics
If you use EChem FAIRifier in your research, please cite:
Haghighatbin, A. (2025). EChem FAIRifier: Making electrochemical data FAIR-compliant (v1.0.0). Zenodo. https://doi.org/10.5281/zenodo.15737409
@software{haghighatbin2025echem,
title = {EChem FAIRifier: Making electrochemical data FAIR-compliant},
author = {Haghighatbin, Amin},
year = {2025},
publisher = {Zenodo},
version = {v1.0.0},
doi = {10.5281/zenodo.15737409},
url = {https://doi.org/10.5281/zenodo.15737409}
}- 📧 Contact: aminhb@tutanota.com
- 💼 LinkedIn: Connect with Amin
- 🐛 Issues: GitHub Issues
- 💡 Discussions: GitHub Discussions
This project is licensed under the MIT License - see the LICENSE file for details.
- EMMO Community for electrochemistry ontology development
- Streamlit Team for the excellent web framework
- Electrochemistry Community for feedback and requirements
- Open Science Movement for inspiration and standards
Making electrochemical research more reproducible, one dataset at a time.