The document discusses the acquisition, storage, and management of research data in chemical sciences, emphasizing the need for an open-source research infrastructure. It highlights traditional scholarly communication methods in chemistry and the associated disadvantages, such as loss of critical laboratory information. The proposed infrastructure includes various tools and facilities to improve data management, accessibility, and citability.

1. KIT – The Research University in the Helmholtz Association
KIT Library ▪ Institute of Organic Chemistry
www.kit.edu
Acquisition, Storage and Management of Research Data
in Chemical Sciences:
Development of an Open Source Research Infrastructure
Claudia Kramer, Nicole Jung

2. KIT Library2
Invisible Research Data in Chemistry
Iceberg model for research data in chemistry
5.7.17 Claudia Kramer, Nicole Jung, LIBER Patras 2017

3. KIT Library3
Invisible Research Data in Chemistry
Claudia Kramer, Nicole Jung, LIBER Patras 20175.7.17
How does scholarly
communication work in
Chemistry?
• Scientific communication
and publication are very
traditional
• Dissemination of research
results takes place almost
exclusively through
traditional journals or
patents
What are the
disadvantages:
Lots of information from
the laboratory will be lost
• Information on
devices
• Descipription of
reaction management
• Analytical data
• Structure data

4. KIT Library4
ElectronicLabNotebook
Analytics ServerLab Journal
Open Source
5.7.17 Claudia Kramer, Nicole Jung, LIBER Patras 2017
Infrastructure for Acquisition, Storage and
Management of Research Data

5. KIT Library5
ElectronicLabNotebook
Analytics ServerLab Journal
Structure Editor
Databases
Chemical Toolkits
Management
Information on synthesis
Analytical data
Analysis
Information on device
Open Source
5.7.17 Claudia Kramer, Nicole Jung, LIBER Patras 2017
Infrastructure for Acquisition, Storage and
Management of Research Data

6. KIT Library6
ElectronicLabNotebook
Analytics Server
Open Access RepositoryTransfer
Lab Journal Large Scale Data Facility
Structure Editor
Databases
Chemical Toolkits
Management
Information on synthesis
Analytical data
Analysis
Information on device
Open Source Access
5.7.17 Claudia Kramer, Nicole Jung, LIBER Patras 2017
Infrastructure for Acquisition, Storage and
Management of Research Data

7. KIT Library7
ElectronicLabNotebook
Analytics Server
Open Access RepositoryTransfer
Lab Journal Large Scale Data Facility
Structure Editor
Databases
Chemical Toolkits
Management
Information on synthesis
Analytical data
Analysis
Information on device
Open Source Access and Citability
Persistent
Identifier
DOI
5.7.17 Claudia Kramer, Nicole Jung, LIBER Patras 2017
Infrastructure for Acquisition, Storage and
Management of Research Data

8. KIT Library8
ElectronicLabNotebook
Analytics Server
Open Access RepositoryTransfer
Lab Journal Large Scale Data Facility
Structure Editor
Databases
Chemical Toolkits
Management
Information on synthesis
Analytical data
Analysis
Information on device
Open Source Access and Citability
Persistent
Identifier
DOI
5.7.17 Claudia Kramer, Nicole Jung, LIBER Patras 2017
Infrastructure for Acquisition, Storage and
Management of Research Data

9. KIT Library9 Claudia Kramer, Nicole Jung, LIBER Patras 20175.7.17
funded by
ELN / Chemotion
Contact:
Claudia Kramer, KIT Library, claudia.kramer@kit.edu
Nicole Jung, Institute of Organic Chemistry, KIT, nicole.jung@kit.edu