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Sensitivity and specificity for detecting the presence of each atom species in the entire test set, having as reference the frequency of each species in the training spectra dataset.
| O | N | S | Cl | F | Br | P | I | |
|---|---|---|---|---|---|---|---|---|
| Sensitivity | 0.94 | 0.86 | 0.50 | 0.68 | 0.48 | 0.79 | 0.53 | 0.51 |
| Specificity | 0.50 | 0.76 | 0.96 | 0.91 | 0.92 | 0.98 | 0.99 | 0.99 |
| Frequency (%) | 85.4 | 71.5 | 18.4 | 15.2 | 11.5 | 7.5 | 2.5 | 1.4 |
