FIGURE 7.

Association constants in the monomer-dimer-tetramer grid search colored by quality of MSMRD score. The monomer-dimer-tetramer simulation described in the text and Table 2 was analyzed using the same association pathway and evaluated by the MSMRD agreement between reconstructed and expected forward scattering (Eq. 9). (A) Coarse-grid search with spacing at integer values, as described in Methods. Note that white space indicates a nonphysical reconstruction (>10% negative scattering intensities, as discussed in Methods), and that the large volume of the total search space not shown here also yielded nonphysical reconstructions. (B) Fine-grid search over the range of best coarse-grid MSMRD values with spacing between adjacent grid points set at 1/100 of the coarse-grid spacing.