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. Author manuscript; available in PMC: 2019 Nov 15.
Published in final edited form as: J Phys Chem B. 2019 Aug 15;123(34):7302–7312. doi: 10.1021/acs.jpcb.9b04729

Table 1.

Two-State Resultsa

parameter k+ k− β
Without noise
true values 0.5 2.0 0.3
estimated values 0.5000 2.0000 0.3000
standard deviation 0.0001 0.0002 0.0001
σ2 = 0.05 for the noise
true values 0.5 2.0 0.3
estimated values 0.4555 1.9854 0.3120
standard deviation 0.0466 0.2809 0.0206
σ2 = 0.1 for the noise
true values 0.5 2.0 0.3
estimated values 0.5202 2.2808 0.3185
standard deviation 0.0180 0.1434 0.0650
σ2 = 0.2 for the noise
true values 0.5 2.0 0.3
estimated values 0.5582 1.7767 0.3381
standard deviation 0.1134 0.3351 0.1266
a

Results of parameter estimation for the two-state system captured in Figure 1 with and without considering noise (the rates are in units of min−1). The standard deviations reported for the structural parameters are taken from one representative run after determining these parameters over multiple runs of a given synthetic data set.