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. Author manuscript; available in PMC: 2017 Nov 28.
Published in final edited form as: Anal Chem. 2017 Nov 7;89(22):12201–12208. doi: 10.1021/acs.analchem.7b02884

Figure 5.

Figure 5

Statistics on simulated spectra from 415 compounds. The histogram (a) shows the number of spins on the x-axis versus the corresponding number of compounds on the y-axis. (b) Histogram of the RMSD100 values representing the differences between the simulated and experimental spectra of these compounds.