Mobility parameters, spherical distribution

The mobility of atoms within the crystal is inherent in the diffraction data and evaluated in crystallographic thermal parameters or B factors. These mobility parameters assume a spherical distribution of displacement from the equilibrium (average) position and are obtained through crystallographic least squares refinement of the model versus the observed data. A higher B factor for an atom or averaged over a residue indicates that it is more mobile or flexible than residues with a lower B factor and implies a less stable structure. 

One particle and n scavengers In the first set of simulations, the scavengers were distributed randomly on the spherical surface (which were made mobile), whilst the particle was fixed at the south pole (which was made stationary). Figure 9.16 shows that the exponential approximation is excellent in describing the scavenging kinetics across the parameter space investigated. The exponential approximation can... 

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