Please correct me if I am wrong. ============================================ If I am understanding correctly, your refinement was against the data of SAD which used a wavelength to collect anomalous dispersion.
Such kind of data have anomalous source atoms collected at a lower "real" atomic structure factor (some contributed to anomalous signal). I am not sure what f for Zn has been used for your Fc calculation. If an f without the consideration of anomalous dispertion were used, i.e., the f' were not used or underestimated, you should have got the negative peak for sure. Changing occupancy of Zn may not be reasonable in this regard even though it does erase negative peaks. Lijun Liu@Kansas On Tue, 2012-08-28 at 12:07 -0700, Deepthi wrote: > Hi Everybody > > > Thank You very much for your suggestions. I did play around with > Zinc occupancy by giving 0.5 to each of them. I got rid of the > negative electron density. But i think it still needs to be refined. > > > Thank You very much once again > Deepthi > > > > >
