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Figure 1
Simulated scattering curves from an evolving system (initial state, an ellipsoid; intermediate state, G-like structure from five ellipsoids; and final state, aggregate composed from five G-like intermediates). The pure species curves from the bead models were calculated using DAMMIN, the linear combinations with the `designed' volume fractions were generated using PRIMUS (Konarev et al., 2003BB13). A relative error of 2% was added to the simulated data. In the top left panel, the simulated data are shown as dots, the fits as red solid lines. The shapes of the components (ellipsoid, G-structure, aggregate) are shown in the bottom right panel with magenta, green and cyan beads, respectively. A typical restored shape of the intermediate by DAMMIX is displayed in the bottom right panel with red beads. The scale bar is 100 Å. The scattering curves from the components are shown in the bottom left panel (the two most different restored curves for the intermediate obtained from multiple DAMMIX runs are shown with dashed red lines) and their restored volume fractions are displayed as an inset (the colours are the same as for the bottom right panel) together with the actual volume fractions used in the modelling (black; the error bars of volume fractions display the average dispersion over multiple DAMMIX runs).

IUCrJ
Volume 5| Part 4| July 2018| Pages 402-409
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518005900