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Figure 24 | Journal of Cheminformatics

Figure 24

From: Blind trials of computer-assisted structure elucidation software

Figure 24

Distribution of the structure generation time (minutes) relative to the overall NMR spectral purity across the blind trials classified as Double and Single Agreement challenges. The datasets were judged based on the number of incidences of ambiguous assignments across all the NMR experiments. The number of incidences of ambiguous assignment and superfluous signals for good, average, poor and bad data are < 5, 5-10, 11-20 and > 20, respectively.

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