Re: [ccp4bb] Dose in diffraction patterns?

2020-05-07 Thread James Holton
One more correction: For example, if you see an average pixel value of 20 photons on a Pilatus 6M, then that is P=120e6 photons.  If that was a t=0.1 s exposure from a sample 100 microns thick, then the beamline flux was about 1e12 photons/s.  Note that this is the flux after any attenuation,

Re: [ccp4bb] Dose in diffraction patterns?

2020-05-07 Thread James Holton
Ah!  I did that last formula wrong.  Never do algebra in your head without checking. It should be: The equation then becomes: f = P/t/L/1.2e-5 Where 1.2e-5 = 0.2 cm^2/g * 1.2 g/cm^3 * 1e-4 cm/micron * 50%, f=flux and t=exposure (as above). For example, if you see an average pixel value of

Re: [ccp4bb] Dose in diffraction patterns?

2020-05-06 Thread James Holton
In general?  No. I believe a few places put "flux" into the header, but as Andreas just mentioned that is only one of the bits of information you need to calculate dose.  If all you want is a rough estimate, then the numbers you need are: f = flux (photons/s) t = exposure time (s) w =

Re: [ccp4bb] Dose in diffraction patterns?

2020-05-06 Thread Andreas Förster
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,