For a review of research data, various types of information can be taken into account. Measurement data consist primarily of (a) data files such as spectroscopic data from devices including data and metadata, (b) additional associated metadata and descriptions such as the structure of the measured substance or the measurement parameters, and (c) the interpretation of the data of the measured samples in textual form (analysis) . Special options result from the chemical structure, which enable the calculation or prediction/simulation of characteristic parameters for a measured substance (Figure ). The systematic description of the types of information (a) -(c) shown in Based on the information in the metadata, additional information can be gained by calculations and predictions.