Table 1.
Parameter | Reference range | NMR range | PLS factors | Calibration | Validation | ||
---|---|---|---|---|---|---|---|
RMSEa | R2 | RMSE | R2 | ||||
Ethanol-containing medicines | |||||||
Camphor (mg/L) | 0–883 | 0–3 | 6 | 16 | 0.98 | 32 | 0.94 |
FC | 0.6–40 | 0–3 | 5 | 13 | 0.94 | 19 | 0.90 |
Herbal teas (water infusions) | |||||||
Camphor (mg/L) | 1.5–55 | 0–3 | 4 | 2.4 | 0.79 | 2.87 | 0.76 |
FC | 5–15 | 0–3 | 7 | 0.27 | 0.99 | 1.63 | 0.69 |
ORAC (mmol trolox equivalents/100 mL) | 0.4–1.4 | 0–3 | 4 | 0.03 | 0.98 | 0.11 | 0.76 |
Luteolin-7-O-glucuronide (mg/L) | 37–100 | 6–10 | 7 | 4.3 | 0.98 | 14 | 0.72 |
Sum of flavone glycosides (mg/L) | 52–130 | 6–10 | 8 | 0.46 | 0.99 | 13 | 0.86 |
Sum of rosmarinic acid derivatives (mg/L) | 23–208 | 0–10 | 4 | 9.0 | 0.98 | 15 | 0.91 |
Sum of carnosol derivatives (mg/L) | 33–53 | 0–10 | 5 | 0.8 | 0.99 | 5.4 | 0.71 |
Note:
Root-mean squared error.