Table 1.
Folding Reaction | k¥ | I¥ | N¥ | RMSE of best model | RMSE 2nd best model | RMSE 3rd best model | % RMSE 1st to 2nd | |
---|---|---|---|---|---|---|---|---|
A | Mg2+ | 3 | 2 | 28 | 0.98 | 2.03 | 2.76 | 107% |
B | Mg2+ | 3 | 3 | 84 | 0.95 | 1.02 | 1.08 | 7.4% |
C | Mg2+ | 4 | 3 | 680 | 1.72 | 1.95 | 2.05 | 13.4% |
D | Mg2+ | 4 | 4 | 3060 | 1.69 | 1.72 | 1.73 | 1.8% |
E | Na+ | 3 | 2 | 28 | 0.36 | 0.47 | 0.98 | 30.6% |
F | Na+ | 3 | 3 | 84 | 0.34 | 0.36 | 0.37 | 5.9% |
k, I and N are the number of clusters, the number of intermediates in the model, and the total number of models tested, respectively.
Gray shading indicates best models based on Gap Statistic analysis29.