Dear Murpholino,

all diffraction patterns contain information on absorbed dose in the form
of radiation damage.

You might be more interested in a quantitative description of dose.  For
this, you need information on the size and shape of your crystal; the
sequence of your protein + cofactors, ligands, metals and crystallization
buffer; the size, shape and flux of your beam; and the position of the
rotation axis relative to the beam (does the crystal rotate or wobble in
the beam?).  In a perfect world, all this information would be part of the
metadata that's saved with your diffraction data.  Currently, none of this
is.  (Correct me if I'm wrong.  I'd like to know.)  With it, you can
estimate dose with the current or future versions of Raddose 3D.

All best.


Andreas



On Tue, May 5, 2020 at 8:49 PM Murpholino Peligro <[email protected]>
wrote:

> Do diffraction patterns publicly accessible contain information about the
> x-ray absorbed dose?
>
>
>
> Thanks
>
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