Table 6. Models used to fit LmrP data (Fig. 8).
Model | n | Linked | q | SSR | BICWLS | ΔBICWLS | pK | |
---|---|---|---|---|---|---|---|---|
1 | 2 | Nothing | 64 | 0.075598 | 1.1230 | −30,382.8 | 139.7 | — |
2 | 3 | Nothing | 88 | 0.074582 | 1.1129 | −30,242.2 | 280.4 | — |
3 | 2 | Gaussians | 36 | 0.079455 | 1.1651 | −30,474.8 | 47.7 | 4.6 ± 0.6 |
4 | 3 | Gaussians | 46 | 0.077139 | 1.1329 | −30,483.0 | 39.6 | — |
5 | 3 | Custom | 39 | 0.078279 | 1.1463 | −30,498.7 | 23.8 | 4.6 ± 0.7 |
6 | 3 | Custom | 39 | 0.078139 | 1.1419 | −30,509.5 | 13.1 | 4.8 ± 1.0 |
7 | 3 | Custom | 39 | 0.077450 | 1.1365 | −30,522.6 | 0.0 | 4.7 ± 1.3 |
The models differ in the number of Gaussian components, n, used to define the distance distributions and in how their parameters are linked for the different datasets. In all models, the modulation depths, Δ, and the background parameters, η, for the different datasets are not linked. pK values are the negative logarithms of the dissociation constants.