Dear Crystallographers, it seems to me that on a certain level we are always throwing away (sort of) about half of our data when we merge Bijvoet pairs--why shouldn't we keep them separate, since we know that they should be a little bit different, especially in light of the higher multiplicities which are more common now? Shouldn't modelling them give better R-values, and wouldn't it just be more true? I guess a sort of proof for this is that sulfurs are almost always detectable on anomalous difference maps, implying that we are actually measuring those differences accurately enough to see them (I don't think these things can arise from model bias, as anomalous differences are not modeled.) At least maybe at the final steps of refinement...?
JPK -- ******************************************* Jacob Pearson Keller Northwestern University Medical Scientist Training Program email: j-kell...@northwestern.edu *******************************************
