IUC14 Adaptive automated characterization pipelines and meta data schemas for high throughput experiments

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Main Task Area: TA-OMS
Other related Task Areas: TA-MDI, TA-WSD
Possible connections within NFDI: FAIRmat, NFDI4Chem
Material/Data: Combinatorial thin films synthesis and automatized X-ray diffraction data analysis
Main Success Scenario: A toolkit for the automated handling of all meta data during sample characterization is set up. This allows for a high-throughput analysis of structural data for materials design and materials discovery
Added value for the MatWerk community: Data management for automated experimental characterization techniques; Concepts and software solutions for a continuous adaptation of data management workflows in conjunction with a developing meta data schema;

Main requirements

  • Standardized formats for data and metadata
  • Flexible storage of large amount of data obtained in high-throughput measurements
  • Workflow management systems that can be adapted during use
  • Combination of automated experimental characterization and automated data analysis
  • Device software and electronic lab books

Related Participant Projects


In this IUC a research data management for highly diverse experimental data is developed and established in order to match the special requirements of automated experimental characterization setups. The desired solution should continuously adapt data management workflows. Starting with a relatively limited meta data schema, a continuous adaption over the period of use is foreseen to develop more and more data procedures into dedicated data management workflows. By continuous adaptation and integration of analysis workflows and metadata schemes, the amount and the quality of the meta data improves. A prototype system for such a setup has been developed by the PP01 and will be integrated in the materials data infrastructure of NFDI-MatWerk.