Dear Crystallographers, it occurred to me that most datasets, at least certainly since the advent of synchrotrons, have probably some degree of radiation damage, if not some huge degree thereof. Therefore, I was thinking an exposure-dependent parameter might be introduced into the atomic models, as an exposure-dependent occupancy of sorts. However, this would require refinement programs to use individual observations as data rather than combined reflections, effectively integrating scaling into refinement. Is there any talk of doing this? I think the hardware could reasonably handle this now?
And, besides the question of radiation damage, isn't it perhaps reasonable to integrate scaling into refinement now anyway, since the constraints of hardware are so much lower? Jacob -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program email: [email protected] *******************************************
