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. Author manuscript; available in PMC: 2011 Jul 15.
Published in final edited form as: Anal Chem. 2011 Jun 28;83(14):5631–5638. doi: 10.1021/ac200740w

Table 1. Accuracy (%) of compound identification for simple and composite similarities.

Based on the number of spectra correctly identified in the repetitive library, the accuracy (%) of compound identification is calculated.

Rank Threshold
1 2 3
Simple WC 80.68 90.54 94.17
CC 72.93 84.04 88.81
RstC 3.31 8.19 13.46
DFT.I 72.93 84.05 88.78
DFT.R 72.95 84.04 88.79
DFT.A 69.08 79.80 84.23
DWT.A 69.74 81.19 86.39
DWT.D 71.48 82.52 87.27

Composite W+RstC 79.62 90.56 94.45
W+DFT.I 82.60 92.28 95.67
W+DFT.R 82.63 92.31 95.67
W+DFT.A 82.53 91.90 95.26
W+DWT.A 81.68 91.74 95.28
W+DWT.D 82.70 92.20 95.59