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![[Figure 5]](rr5176fig5mag.jpg)
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Figure 5
Refinement results. (a) The initial state showing the starting position of atom 18 in the x1 dimension versus t (x4), where t from 0 to 1 represents one period of the modulation function. The modulation function is shown as a solid black line, and the expected refined positions are shown as black circles. The starting average positions in the supercell are shown as black crosses, and for an unmodulated atom are on a horizontal line. (b) After refinement the black crosses fail to overlay the expected position (black circles) or the AMF (black line). The incorrectly refined positions appear to conform to a sinusoidal-like shape. (c) Shifting the incorrectly refined positions to t + 1/2 (black crosses) causes them to line up with the known AMF (black line). |
![[Figure 5]](rr5176fig5.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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