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Table 4 Results of 8 single-blind trials.

From: Blind trials of computer-assisted structure elucidation software

  Position of Accepted Candidate Number of Structures Generated Spectral Processing Time (min.) Generation Time (min.) d13C HOSE (ppm) stdd 13C (ppm)
Example 1 1 389 135 < 1 2.76 3.30
Example 2 1 50 Tabular < 1 1.73 2.23
Example 3 1 9339 180 30 2.10 2.74
Example 4 1 388 180 6 2.20 3.05
Example 5 1 116 60 < 1 1.44 2.52
Example 6 1 9872 240 8 1.02 1.91
Example 7 1 127 120 < 1 0.84 1.07
Example 8 1 3224 120 60 1.82 2.08
  1. Numerical data. In most cases, raw experimental NMR data files were submitted. For example 2, the processed data were submitted in the form of a table.