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Figure 7
Comparison of experimental data and models for errors in SAXS data. (a) Intensity versus q and (b) Kratky representation [qI(q) versus q] of scattering profiles for cytochrome c. Experimental data (Lipfert et al., 2006BB23) for 8 mg ml−1 cytochrome c in 100 mM acetate buffer (pH 4.6) with 0.5 M guanidinium hydrochloride added recorded at beamline 12ID at the Advanced Photon Source, Argonne, IL, USA are shown in blue. Simulated scattering profiles were computed using CRYSOL (Svergun et al., 1995BB41) (green, magenta and cyan profiles) or FoXS (Schneidman-Duhovny et al., 2010BB35) (red profile) from the crystal structure (Sanishvili et al., 1995BB33) of cytochrome c (PDB accession code 1crc). Simulated noise was added to the computed profiles using (i) the procedure described in §3.7[link] of this work (green); (ii) the errors from the FoXS webserver (red); (iii) the error model of Stovgaard et al. (2010BB37), σ(q) = I(q)(q + α)β with the constants adjusted to α = 0.15 and β = 0.2 (magenta); and (iv) Gaussian noise with a constant variance set at σ = 0.5%I(0) (cyan).

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