Table 4.
Observed and calculated 13C NMR chemical shifts (ppm) for interior cellulose chains.
| Observed | 333333 | 34443 | 234432 | |||||
|---|---|---|---|---|---|---|---|---|
| c | b | Origin | Center | Origin | Center | Origin | Center | |
| C1 | 104.1 | 104.8 | 106.0 | 102.8 | 105.4 | 102.5 | 105.2 | 102.4 |
| C2 | 71.8 | 72.6 | 71.1 | 71.0 | 70.3 | 69.8 | 70.8 | 70.8 |
| C3 | 75.2 | 75.4 | 72.5 | 72.7 | 73.2 | 73.9 | 72.8 | 72.6 |
| C4 | 88.1 | 88.8 | 85.8 | 84.3 | 85.7 | 84.7 | 84.7 | 83.9 |
| C5 | 71.2 | 72.6 | 72.4 | 71.6 | 73.0 | 70.9 | 72.5 | 71.4 |
| C6 | 65.9 | 65.5 | 64.0 | 66.7 | 65.5 | 65.9 | 64.3 | 66.6 |
| Slope | 1.06 | 0.93 | 1.02 | 0.94 | 1.03 | 0.92 | ||
| Intercept | −5.41 | 4.07 | −2.23 | 2.59 | −3.05 | 4.51 | ||
| Correlation coefficient | 0.993 | 0.993 | 0.993 | 0.996 | 0.992 | 0.993 | ||
| MAE | 1.8 | 2.2 | 1.6 | 2.1 | 1.8 | 2.4 | ||
| RMSE | 1.9 | 2.5 | 1.7 | 2.4 | 2.0 | 2.7 | ||
| MaxE | 2.7 | 4.5 | 2.4 | 4.1 | 3.4 | 4.9 | ||
Observed = Wang et al.8.
Ideal slope, intercept and correlation coefficient values are 1.0, 0.0 and 1.0, respectively. MAE = Mean Absolute Error, RMSE = Root-Mean-Squared Error, and MaxE = Maximum Error.