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Comparison of the key parameters of 2a and 2b in NMR computation
| Parameters | 2a | 2b |
|---|---|---|
| R2 (13C) | 0.9983 | 0.9984 |
| MAE (13C) | 2.4 ppm | 2.2 ppm |
| CMAE (13C) | 1.7 ppm | 1.5 ppm |
| R2 (1H) | 0.9633 | 0.9845 |
| MAE (1H) | 0.23 ppm | 0.14 ppm |
| CMAE (1H) | 0.21 ppm | 0.13 ppm |
| DP4 + (1H data) | 0.00% | 100.00% |
| DP4 + (13C data) | 1.26% | 98.74% |
| DP4 + (all data) | 0.00% | 100.00% |
