The dataset contains a comprehensive list of normalized Raman spectra relevant to ISO 14687:2025. Additionally, the Raman spectrum of hydrogen contaminated by nitrogen at a pressure of 35 MPa is presented.
, The 31 different substances were chosen due to their relevance to ISO 14687:2025. Acquisitions took place at different locations in Germany with a prototype Raman setup, which utilizes a 450 nm laser diode operating with a constant power of 3.5 W. As different sensors were used over the collection phase and the system was recalibrated after changes, the spectra differ in bandwidth as well as in resolution. In addition to the spectra of possible constituents in hydrogen, an exemplary spectrum of hydrogen with approximately 18.6 mmol/mol of nitrogen at a pressure of 35 MPa is shown., For safety reasons and to protect the components of the spectrometer, some gases were diluted either with argon or nitrogen. To increase the signal intensity of diluted samples, the duration of the measurement and/or pressure was varied. This metadata of the spectra contains: The pressure of the gas during acquisition p and the duration of the measurement t. If the sample was diluted, the type of carrier gas and amount of substance (n) in the carrier gas is indicated, as well., When using our dataset in your research, please refer to it as follows:
, and C. R. Günther, L. Appold, P. Adam, A. Stratmann, D. Naglav-Hansen, A. Ostendorf & C. Esen, 2026, Raman spectra of possible impurities in hydrogen relevant to ISO 14687:2025, 2026, ReSeeD Research Data Repository, Research Data Services (RDS) of the Ruhr University Bochum.
