> I (personally) think the best answer from these was to look at the
> TLS-subtracted residuals (ie. total B-factor - TLS component) — can’t
> remember who sent it, off the top of my head.
>
TLS is just an approximation, sometimes good and sometimes not. If TLS
parameters are refined along with individual ADPs ("residual") the latter
tend to compensate for eventual inadequacy of TLS model.
Pavel
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