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Figure 6
Different correlations between TLS groups produce unique diffuse scattering. Parallel (a) and antiparallel (b) TLS motions in GpdQ chains result in measurable differences between diffuse scattering patterns (CC = 0.375). Color bars indicate the directionality of the TLS motions; each color represents a unique molecular position. (c) A map cutaway reveals strong secondary-shell features with a small primary diffuse shell (looking down the L axis; the gray sphere denotes 4 Å resolution). (d) Intensity differences between raw `antiparallel' and `parallel' diffuse maps (green, positive; red, negative) highlights the qualitative changes caused by alternative TLS-group correlations. (e) Correlation values across anisotropic map resolution bins reveal that the highest correlation occurs between the maps at low resolution and decreases as a function of scattering-vector length.

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ISSN: 2059-7983
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