From Spectroscopic Data to Database Infrastructures: A Review of High-Resolution Molecular Spectroscopy

Abstract

The production of high-resolution spectroscopic data is growing significantly, making the issue of its storage and dissemination increasingly critical. Numerous databases have been created to meet very specific needs, and it can be difficult to navigate them. As 2026 draws to a close, this article aims to provide an overview of the most commonly used databases in high-resolution spectroscopy. After reviewing spectroscopic parameters and their origins (measurements, effective models, ab initio calculations), we propose a classification of databases into experimental compilations, calculated databases, and hybrid databases, demonstrating that these categories now form a continuum rather than a discrete partition. We discuss the trade-off between accuracy and completeness, the handling of uncertainties, and issues related to data formats and interoperability. Finally, we identify the main challenges facing the community.

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