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. Author manuscript; available in PMC: 2023 Apr 23.
Published in final edited form as: J Phys Chem B. 2022 Feb 25;126(9):1885–1894. doi: 10.1021/acs.jpcb.1c10925

Figure 3. The change in RMSD error of the eight experimental data types (x-axis) for the R2 and S2-selected ensembles (red-bar) vs the R2- and S2-dynamic ensembles (blue-bar).

Figure 3.

The panels (a-c) show the results for R2 and panels (d-f) show the results for S2 for the ENSEMBLE, RANDOM, and MIXED pool optimizations using X-EISD. There are negligible errors according to the Bayesian model for SAXS, Rh and smFRET. RMSD units are different for each experimental data type and are found in Table 1.