Figure 4.

Fit to simulated DEER data generated using a single Gaussian to model P(R) (r₀ = 32.5 Å and σ_r = 2.5 Å) and a short dipolar evolution time. Data were simulated for t = −32 to +600 ns with a time increment of 2 ns. Other parameters are given in Table S2. Normally distributed random numbers with SD of 0.005 were added as noise. (A) The simulated data (blue dots), the fit (solid black line), the best-fit background factor (dashed black line), and the true background (dotted red line) are shown. The inset shows the best-fit P(R) (solid black lines), the confidence band (2σ, shaded gray regions), and the true P(R) (dashed red lines) for the simulated data. (B) The one-dimensional confidence interval (gray dots) obtained by fixing λ to a series of values and allowing the other four fit parameters to vary to minimize${\chi }_{\nu }^2$ is shown. The green dashed horizontal line gives the 2σ confidence level. (C) Histograms of 10,000 λ values obtained from repetitive fits to replicate data similar to that in (A) are given. (D) The δ(R) (blue dotted line) calculated for the fit A compared to the average δ(R) (black dashed line) and the SD (solid gray line) of all of the P(R) obtained from fitting 10,000 replicate data sets is shown. Only a portion of the full range (0–100 Å) of R is shown. To see this figure in color, go online.