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Towards improved FAIRness of the ThermoML Archive
Demian Riccardi1, Zachary Trautt2, Ala Bazyleva1
1Thermodynamics Research Center, Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, CO, USA.
The updated ThermoML Archive now offers improved FAIR data access for thermodynamic properties. This NIST resource enhances user experience with advanced search and JSON data formats for easier programmatic use.
Area of Science:
- Thermodynamics
- Physical Chemistry
- Data Science
Background:
- The ThermoML Archive compiles thermodynamic data from NIST TRC and five key journals.
- Data spans from 2003 to 2019, with a recent update focusing on FAIR data principles.
Purpose of the Study:
- To enhance the FAIRness (Findability, Accessibility, Interoperability, Reusability) of thermodynamic data.
- To improve the user experience for accessing and utilizing thermodynamic property information.
- To provide data in accessible formats for both manual browsing and programmatic consumption.
Main Methods:
- The archive was updated to align with FAIR data principles.
- A web application was developed for comprehensive property browsing and searching.
- A RESTful API using Cordra software facilitates data searching.
- ThermoML and JSON file formats are now available for data download.
Main Results:
- Improved FAIRness and user experience of the thermodynamic data service.
- Enhanced capabilities for searching and browsing thermodynamic properties.
- Availability of data in both ThermoML (XML-based) and JSON formats.
- Direct download links provided for all archive entries.
Conclusions:
- The updated ThermoML Archive offers a more accessible and user-friendly platform for thermodynamic data.
- The inclusion of JSON serialization lowers the barrier for programmatic data access.
- This resource supports researchers and stakeholders needing reliable thermodynamic property data.
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