ICSD is the world’s largest database for fully identified inorganic crystal structures. It currently contains about 193,000 peer-reviewed data entries including their atomic coordinates. Updates are made twice a year (in spring and in fall) with data taken from scientific journals and other sources. Thanks to these many heterogeneous data sources the database has a wide coverage. ICSD is also updated retroactively. The oldest records date back to the year 1913 and contain information from publications by William Henry Bragg and his son.

NMRShiftDB is a web database for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (currently only for carbon) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users.

The MPI-Mainz-UV-VIS Spectral Atlas is a comprehensive collection of absorption cross sections for gaseous molecules and radicals, primarily relevant to atmospheric research, from measurements performed during the last nine decades. The individual data sets were collected from the original publications, either copied from tabulations, or read from figures in those cases where numerical data could no longer be obtained. Other sources rely on the internal databases of several research centers dealing with atmospheric chemistry and/or molecular spectroscopy. Numerous excellent high-resolution spectra were obtained from personal communications with the scientists.