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. Author manuscript; available in PMC: 2020 Jan 10.
Published in final edited form as: J Phys Chem A. 2018 Dec 24;123(1):359–370. doi: 10.1021/acs.jpca.8b07673

Figure 6.

Figure 6.

Stepwise process of obtaining uncertainty in the distance distribution from the dipolar signal. (A) Denoised experimental dipolar signal using WavPDS (cf. Figure 7 for noisy data). (B) Distance distribution reconstructed using the SVD method.7 (C) Modified Picard plot for the 2 nm distance, revealing that the solution for this distance never diverges. Hence, the last data point is selected as SVC cutoff. (D) Modified Picard plot for the 4.3 nm distance, revealing the singular value cutoff before which solution at this distance diverges. (E) P(r) values obtained at the 2 nm distance by different SVCs until the SVC cutoff; if it never diverges as in this case then the last SVC is selected as cutoff. (F) P(r) values obtained at the 4.3 nm distance by different SVCs until the SVC cutoff. (G) Distance distribution with uncertainty in distribution shown in red.