By Karlsruhe Nano Micro Facility (KNMF)
The Electronic Lab Notebook (ELN) Chemotion offers sophisticated software for scientific work that includes different features for experimental sciences. The software establishes new data flow concepts and fosters the documentation of analytical processes. Chemotion ELN was built for chemists, including sample processing steps, molecule drawing editors and special data analysis tools. The software allows further reading of proprietary data files, to convert them into open, standardized data and to extract metadata that can be mapped to other ELN schemes.
Karlsruhe Data Infrastructure for Materials Science (Kadi4Mat) Without suitable modelling, simulation and analysis methods, the constantly growing request for information on materials behavior as well as the amounts of data from simulations and experiments will no longer be recordable. An important aspect is to be able to perform modelling and simulation in an efficient and rapid way. Here, the massive parallel solver Pace3D is used for materials research. To perform the corresponding data analysis smoothly, a structured storage of research data and related metadata is essential. In addition to uniform data storage, such systems can overcome inter-institutional hurdles, generate specific models, compare theoretical and experimental data and offer reproducible workflows for data analysis. Furthermore, linking data with persistent identifiers enables other researchers to reference them in their work. The Karlsruhe Data Infrastructure for Materials Science (Kadi4Mat) is a software to tackle the challenges mentioned, by combining new concepts with established technologies and existing solutions. More details can be found on the Kadi4Mat website. A demonstrator is available.
CATEGORY
The Electronic Lab Notebook (ELN) Chemotion offers sophisticated software for scientific work that includes different features for experimental sciences. The software establishes new data flow concepts and fosters the documentation of analytical processes. Chemotion ELN was built for chemists, including sample processing steps, molecule drawing editors and special data analysis tools. The software allows further reading of proprietary data files, to convert them into open, standardized data and to extract metadata that can be mapped to other ELN schemes. The extension LabIMotion (as a part of Chemotion) includes flexible modules that can be designed and adapted by scientists to modify the ELN according to diverse requirements and applications. 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 modules can be connected to each other and therefore, a clear assignment of materials and samples to processes and workflows can be gained. 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.
CATEGORY
The extension LabIMotion (as a part of Chemotion) includes flexible modules that can be designed and adapted by scientists to modify the ELN according to diverse requirements and applications. 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 modules can be connected to each other and therefore, a clear assignment of materials and samples to processes and workflows can be gained. 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.
CATEGORY
