Supplementary material: Model coupling through reproducible adapter workflows based on shared transformation functions (ICPSR doi:10.26165/JUELICH-DATA/VLBZIA)

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Supplementary material: Model coupling through reproducible adapter workflows based on shared transformation functions

doi:10.26165/JUELICH-DATA/VLBZIA

Jülich DATA

2025-12-06

1

Kuckertz, Patrick; Benjamin Fuchs; Julian Schönau; Hedda Gardian; Kevin Knosala; Eugenio Arellano Ruiz; Jan Göpfert; Hans Christian Gils; Jann M. Weinand; Patrick Jochem; Jochen Linßen; Detlef Stolten, 2025, "Supplementary material: Model coupling through reproducible adapter workflows based on shared transformation functions", https://doi.org/10.26165/JUELICH-DATA/VLBZIA, Jülich DATA, V1

Supplementary material: Model coupling through reproducible adapter workflows based on shared transformation functions

doi:10.26165/JUELICH-DATA/VLBZIA

Kuckertz, Patrick (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany)

Benjamin Fuchs (German Aerospace Center (DLR), Institute of Networked Energy Systems, 70563 Stuttgart, Germany)

Julian Schönau (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany)

Hedda Gardian (German Aerospace Center (DLR), Institute of Networked Energy Systems, 70563 Stuttgart, Germany)

Kevin Knosala (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany)

Eugenio Arellano Ruiz (German Aerospace Center (DLR), Institute of Networked Energy Systems, 70563 Stuttgart, Germany)

Jan Göpfert (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany)

Hans Christian Gils (German Aerospace Center (DLR), Institute of Networked Energy Systems, 70563 Stuttgart, Germany)

Jann M. Weinand (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany)

Patrick Jochem (German Aerospace Center (DLR), Institute of Networked Energy Systems, 70563 Stuttgart, Germany)

Jochen Linßen (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany)

Detlef Stolten (Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research – Jülich Systems Analysis, 52425 Jülich, Germany; RWTH Aachen University, Chair for Fuel Cells, Faculty of Mechanical Engineering, 52062 Aachen, Germany)

03EI1005A-G

442146713

Energy System Design

Jülich DATA

Kuckertz, Patrick

Kuckertz, Patrick

2025-12-04

Computer and Information Science, Software Coupling, Data Integration, Scientific Workflows, Data Models, Transformation Functions, Metadata, Reusability, Interoperability, DataDesc Schema, ioProc Workflow Manager

This supplementary material provides resources supporting the implementation of the refined DataDesc metadata schema and the ioProc workflow manager, described in the article, “Model coupling through reproducible adapter workflows based on shared transformation functions.” It aims to facilitate data and software integration, as well as data processing, by formalizing interface and data model descriptions and automating the identification of data transformation requirements. Using the ioProc and Snakemake workflow tools, these resources support reproducible, transparent adapter workflows with reusable transformation functions. The DataDesc schema is applied to create machine-interpretable descriptions of transformations, ensuring transparency in data handling across complex, coupled workflows. <h3>Organization</h3> <p>The project is organized into sections for <code>DataDesc Annotations</code>, <code>Data Models</code>, <code>Workflows</code>, and <code>Shared Data</code>.</p> <ul> <li><strong><code>DataDesc Annotations</code></strong> <ul> <li><strong><code>Data</code>:</strong> Contains JSON files with metadata annotations for energy technologies and renewable resources: <ul> <li>PEM electrolysis (<code>86 PEMEC 100 MW.json</code>)</li> <li>Solar PV (<code>ninja_pv_country_DE_merra-2_corrected.json</code>)</li> <li>Wind onshore (<code>ninja_wind_country_DE_current-merra-2_corrected.json</code>)</li> <li>Technology data for electricity and district heating (<code>technology_data_for_el_and_dh.json</code>)</li> <li>Technology data for energy storage (<code>technology_datasheet_for_energy_storage.json</code>)</li> <li>Specific technologies, including gas turbines, heat pumps, and lithium-ion batteries.</li> </ul> </li> <li><strong><code>Data Models</code>:</strong> JSON files representing data models for different workflows: <ul> <li>FINE framework models (<code>fine_dd.json</code>, <code>fine_merra_comparison.json</code>)</li> <li>REMix framework models (<code>REMix_dd.json</code>, <code>remix_readRemixCsv.json</code>)</li> </ul> </li> </ul> </li> <li><strong><code>Workflows</code></strong> <ul> <li><strong><code>FINE Workflow</code></strong> and <strong><code>REMix Workflow</code></strong>: Workflow configuration files for each framework, implementing the transformations and data processing steps.</li> </ul> </li> <li><strong><code>Shared Data</code></strong> <ul> <li>Contains <code>.xlsx</code> and <code>.csv</code> datasets shared across workflows: <ul> <li>Renewable fuels data (<code>data_sheets_for_renewable_fuels.xlsx</code>)</li> <li>Technology data for electricity, heat, and storage (<code>technology_data_for_el_and_dh.xlsx</code>, <code>technology_datasheet_for_energy_storage.xlsx</code>)</li> <li>High-resolution generation data for Germany from renewables.ninja, including solar PV and wind (<code>ninja_pv_country_DE_merra-2_corrected.csv</code>, <code>ninja_wind_country_DE_current-merra-2_corrected.csv</code>).</li> </ul> </li> </ul> </li> <li><strong><code>README.md</code></strong>: General project instructions and usage guidelines.</li> </ul> <h3>License</h3> All source code is licensed under the BSD 3-Clause License, including the jupyter notebooks. All input data from the Danish Energy Agency and Renewables Ninja have their respective licenses specified in accompanying license files. All other data is licensed under CC-BY 4.0 Attribution 4.0 International. Copyright (C) 2023-2024 FZJ-ICE-2 and Deutsches Zentrum für Luft- und Raumfahrt <h3>Acknowledgement</h3> The authors would like to thank the Federal Ministry for Economic Affairs and Climate Action of Germany (BMWK) for supporting this work with a grant for the project LOD-GEOSS (03EI1005A-G). Furthermore, the authors are grateful to the German federal government, the German state governments, and the Joint Science Conference (GWK) for their funding and support as part of the NFDI4Ing consortium, managed by the German Research Foundation (DFG) – 442146713. This work was also supported by the Helmholtz Association as part of the program "Energy System Design".

All source code is licensed under the BSD 3-Clause License, including the jupyter notebooks. All input data from the Danish Energy Agency and Renewables Ninja have their respective licenses specified in accompanying license files. All other data is licensed under CC-BY 4.0 Attribution 4.0 International. Copyright (C) 2023-2024 FZJ-ICE-2 and Deutsches Zentrum für Luft- und Raumfahrt

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01_data_processing.ipynb

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02_model_calculation.ipynb

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05 Gas turb. CC, steam extract..json

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180 Lithium Ion Battery.json

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40 Absorption heat pump, DH.json

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86 PEMEC 100 MW.json

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accounting_converteractivity-1.csv

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accounting_converteractivity.csv

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accounting_converterstartup.csv

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accounting_converterunits-1.csv

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accounting_converterunits.csv

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accounting_indicatorbounds.csv

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accounting_perindicator.csv

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accounting_sourcesinkflow.csv

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accounting_storageunits-1.csv

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accounting_storageunits.csv

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accounting_transportdistance.csv

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config.yaml

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converter_activityprofile-1.csv

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converter_activityprofile.csv

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converter_capacityparam.csv

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converter_coefficient-1.csv

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converter_coefficient.csv

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converter_coefficientprofile.csv

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converter_techparam-1.csv

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converter_techparam.csv

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convert_scalars.py

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convert_timeseries.py

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create_folder_structure.py

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data_sheets_for_renewable_fuels.xlsx

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fine_dd.json

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fine_merra_comparison.json

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general.py

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getData.py

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Input_profiles_fine_changed.xlsx

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Input_profiles_fine.xlsx

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map_accnodes.csv

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map_aggregatenodesmodel.csv

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model_coupling.py

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ninja_pv_country_DE_merra-2_corrected.csv

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ninja_pv_country_DE_merra-2_corrected.csv.license

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ninja_pv_country_DE_merra-2_corrected.json

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ninja_wind_country_DE_current-merra-2_corrected.csv

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ninja_wind_country_DE_current-merra-2_corrected.csv.license

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ninja_wind_country_DE_current-merra-2_corrected.json

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Output_profiles_fine_changed.xlsx

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Output_profiles_fine.xlsx

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parameters.json

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Potentials_changed.xlsx

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Potentials.xlsx

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README.md

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REMix_dd.json

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remix_readRemixCsv.json

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REMix-workflow.drawio

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REMix-workflow.pdf

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run.py

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set_accnodes.csv

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set_accnodesdata.csv

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set_activities.csv

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set_commodities.csv

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set_converter_techs.csv

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set_distancetypes.csv

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set_indicators.csv

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set_linksdata.csv

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set_nodesdata.csv

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set_nodesmodel.csv

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set_nodesmodelsel.csv

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set_profiletypes.csv

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set_sourcesink_techs.csv

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set_storage_techs.csv

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set_timemodel.csv

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set_transport_techs.csv

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set_years.csv

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set_yearssel.csv

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sourcesink_annualsum.csv

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sourcesink_config.csv

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sourcesink_profile.csv

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storage_levelprofile.csv

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storage_reservoirparam.csv

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storage_sizeparam-1.csv

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storage_sizeparam.csv

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storage_techparam-1.csv

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storage_techparam.csv

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strukturExample.png

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strukturExample.vsdx

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technology_data_for_el_and_dh.xlsx

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technology_data_for_el_and_dh.xlsx.license

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technology_datasheet_for_energy_storage.xlsx

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technology_datasheet_for_energy_storage.xlsx.license

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transport_coefficient.csv

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transport_coefperdistance.csv

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transport_coefperflow.csv

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transport_distanceparam.csv

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transport_linesparam.csv

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transport_linkstartend.csv

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transport_techparam.csv

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user.yaml

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workflow.drawio

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workflow.pdf

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