Table 2 PLSR coefficients of determination (R2) and root mean square errors (RMSE) for determination of citric acid (for P. glabrum), with the number of components in parenthesis (A opt ); CV cross validation, ITV independent test validation
FTIR measurement mode | CV | ITV | ||
|---|---|---|---|---|
R2 (A opt ) | RMSE (g L−1 citric acid) | R2 (A opt ) | RMSE (g L−1 citric acid) | |
ATR | 0.97 (5) | 0.51 (5.8%) | 0.88 (4) | 0.76 (8.7%) |
HTS | 0.98 (5) | 0.43 (4.9%) | 0.91 (3) | 0.75 (8.6%) |