Electronic Lab Notebook (ELN)
Electronic Lab Notebook (ELN) offers a combination of different services based on software and databases. In the past, software solutions and concepts were developed to support experimental research groups in the field of data management. This work is used to build up an infrastructure to realise new data flow concepts and documentation or analysis processes. For KNMFi users, services are offered which, on the basis of the established solutions Chemotion and SciMotion4KIT (www.chemotion.net), allow the mapping of new research aspects. This will enable the integration of additional data types and documentation needs into a digital workflow. The offered solutions aim to support users in particular in their efforts to generate FAIR data that meet the requirements of research data management standards and fosters further analysis and re-use of the data. ELN will complement existing systems and develop new software and concepts according to user requirements. In particular, the focus will be on extensions to support data transfer, storage, annotation and management by electronic laboratory journals.
Chemotion ELN (demo) and Chemotion repository (demo) were developed for chemists, including the necessary functions and tools to able to work with chemical structures and related data. Part of this essential chemical package are structure editors, data analysis tools and prediction algorithms for physicochemical data. The software was extended to support samples in materials sciences and can be used in a flexible way to store materials related data and analyses. The connection of devices was achieved for exemplary analytical laboratory devices such as NMR, HPLC, GC, and IR instruments and will be extended further to meet the requirements of forthcoming users of the software and infrastructure.
The Chemotion system allows the transfer of data into a repository for research data including the generation of DOIs as persistent identifier. The data is transferred without the loss of information and can be re-used by others due to the availability of machine readable full datasets. If you are interested in a more detailed explanation and description or demos of the software, please contact us.
The KNMFi Laboratory for Simulation and Data Management including Kadi4Mat are under construction. Acces for users will be provided soon. Please contact us for questions and suggestions or if you are interested to collaborate with us.