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. Author manuscript; available in PMC: 2021 Mar 26.
Published in final edited form as: Methods Mol Biol. 2019;2037:413–427. doi: 10.1007/978-1-4939-9690-2_23

Fig. 2.

Fig. 2

Histograms showing the number of spins and normalized RMSD of the entries in the current release of GISSMO library. (a) This histogram shows the number of spins (x-axis) versus the number of compounds (y-axis). (b) Normalized RMSD between simulated and experimental spectra. While the majority of simulated spectra are accurate representations of the experimental data (RMSD <0.1), there are cases where RMSD values are higher than 0.1 owing to relaxation effects or low signal-to-noise ratio of the experimental spectra