By Karlsruhe Nano Micro Facility (KNMF)
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.
