FIGURE 2.

Progression of analysis of a mixture of diastereomers using broadband molecular rotational resonance (MRR) spectroscopy. In each panel, the black spectrum indicates the experimental spectrum, while the different colours are predicted spectra using calculations of the rotational Hamiltonian (Equation (2)) with a given set of rotational constants, and are negative‐going for visualization. Panels marked “Simulation” use computed rotational constants, while “Fit” spectra use experimentally determined parameters. See the text for further description.