What parameters do you refine? Atomic coordinates xy, z The temperature factor of each atom, b Can also refine the occupancy b=8T2x u 2= mean square atomic displacement b results from atomic vibrations and disorder units=82 Example: b=20->0.5a displacement B=80-->1A displ aceme entWhat parameters do you refine? • Atomic coordinates X, Y, Z • The temperature factor of each atom, B • Can also refine the occupancy u B = 8 π2 x u2 2 = mean square atomic displacement B results from atomic vibrations and disorder units = Å2 Example: B = 20 --> 0.5Å displacement B = 80 --> 1Å displacement