Research Article
Detection of Nitroaromatic and Peroxide Explosives in Air Using Infrared Spectroscopy: QCL and FTIR
Table 2
Validation parameters for the models in the subspectral range of 850–1400 cm−1.
| | Parameter | Modulated FTIR (model 1) | Unmodulated FTIR (model 2) | QCL scan (model 3) | | TATP | DNT | TATP | DNT | TATP | DNT |
| | Wilks’ lambda | 0.15 | 0.04 | 0.55 | 0.54 | 0.05 | 0.06 | | Canonical correlation | 0.92 | 0.98 | 0.67 | 0.65 | 0.98 | 0.97 | | PCCC | 99.74% | 99.98% | 92.00% | 93.33% | 100.00% | 100.00% | | PCCCC | 99.73% | 99.97% | 82.00% | 78.33% | 100.00% | 100.00% | | Sensibility | 100.00% | 100.00% | 81.00% | 77.00% | 100.00% | 100.00% | | Specificity | 93.33% | 99.87% | 84.00% | 81.00% | 100.00% | 100.00% | | False alarm | 0.00% | 0.00% | 16.00% | 19.00% | 0.00% | 0.00% | | Missed detection | 6.67% | 0.13% | 19.00% | 23.00% | 0.00% | 0.00% | | Latent variables (LV) | 10 | 10 | 10 | 10 | 5 | 5 | | value | <0.0001 | <0.0001 | <0.0001 | <0.0001 | <0.0001 | <0.0001 |
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