Table 2.
Calibration range and prediction errors of the partial least squares models RMSEC: root mean square error of prediction
| Sugars |
Minimum
(μg/mg) |
Maximum
(μg/mg) |
Average
(μg/mg) |
SD | RMSEC | Factors | RMSEC as % of average |
| Total sugars | 425.36 | 628.92 | 537.29 | 35.84 | 21.43 | 10 | 4 |
| Rhamnose | 0.31 | 2.1 | 1 | 0.41 | 0.22 | 5 | 22 |
| Fucose | −0.23 | 1.42 | 0.49 | 0.25 | 0.26 | 12 | 53 |
| Arabinose | 6.47 | 46.06 | 25.57 | 8.02 | 2.19 | 5 | 9 |
| Xylose | 103.24 | 224.83 | 161.4 | 27.61 | 9.14 | 5 | 6 |
| Mannose | 0.87 | 31.64 | 9.86 | 7.24 | 3.41 | 5 | 35 |
| Galactose | 2.62 | 11.53 | 7.22 | 2.75 | 0.94 | 4 | 13 |
| Glucose | 228.49 | 359.41 | 300.5 | 30.91 | 17.43 | 10 | 6 |
| Uronic acids | 19.97 | 48.61 | 31.26 | 6.5 | 3.9 | 4 | 12 |
| Phenolics |
Minimum
(μg/mg) |
Maximum
(μg/mg) |
Average
(μg/mg) |
SD | RMSEC | Factors | RMSEC as % of average |
| Klason lignin | 107.63 | 241.21 | 168.91 | 21.79 | 14.4 | 10 | 9 |
| Acid insoluble ash | 1.47 | 28.89 | 14.3 | 6.27 | 6.09 | 10 | 43 |
| Corrected lignin | 101.44 | 232.16 | 154.79 | 21.31 | 11.63 | 10 | 8 |
| Protocatechuic aldehyde | 0.002 | 0.013 | 0.007 | 0.002 | 0.002 | 10 | 35 |
| p-OH-Benzoic acid | −0.011 | 0.364 | 0.105 | 0.064 | 0.061 | 10 | 58 |
| Vanillic acid | 0.079 | 0.389 | 0.205 | 0.061 | 0.051 | 10 | 25 |
| p-OH-Benzaldehyde | 0.002 | 0.301 | 0.102 | 0.056 | 0.032 | 10 | 32 |
| Truxillic acid (CA) | −0.004 | 0.021 | 0.01 | 0.005 | 0.005 | 10 | 46 |
| Truxillic acid (FA) | 0.007 | 0.032 | 0.02 | 0.004 | 0.005 | 10 | 25 |
| Vanillin | −0.011 | 0.423 | 0.216 | 0.082 | 0.069 | 10 | 32 |
| t-p-Coumaric acid | 1.445 | 20.043 | 7.501 | 3.565 | 2.098 | 10 | 28 |
| 8,8'-DiFA (aryl tetralin form) | 0 | 0 | 0 | 0 | 0 | ||
| t-Ferulic acid | 1.669 | 7.942 | 4.462 | 1.059 | 1.015 | 10 | 23 |
| 8,8'-DiFA | 0.005 | 0.149 | 0.078 | 0.026 | 0.019 | 10 | 25 |
| 8,5'-DiFA | −0.035 | 1.004 | 0.459 | 0.23 | 0.117 | 10 | 26 |
| 5,5'-DiFA | 0.047 | 0.389 | 0.202 | 0.08 | 0.035 | 10 | 17 |
| 8-O-4'-DiFA | 0.172 | 1.066 | 0.655 | 0.21 | 0.103 | 10 | 16 |
| 8,5'-DiFA (benzofuran form) | 0.091 | 0.279 | 0.164 | 0.034 | 0.033 | 10 | 20 |
| Total phenolic acids | 5.637 | 32.61 | 14.356 | 4.558 | 3.345 | 10 | 23 |
| Total phenolic acids (plus estimated unknown peaks) | 5.25 | 32.659 | 14.438 | 4.591 | 3.344 | 10 | 23 |
| Tissues | Minimum | Maximum | Average | SD | RMSEC | Factors | RMSEC as % of average |
| Internode | 18.00% | 42.70% | 30.00% | 6.10% | 1.70% | 6 | 6 |
| Node | 3.00% | 7.70% | 4.80% | 1.00% | 0.60% | 9 | 12 |
| Leaf | 27.90% | 52.80% | 40.50% | 5.40% | 2.20% | 6 | 5 |
| Ear | 17.30% | 33.70% | 24.70% | 3.60% | 1.90% | 6 | 8 |