Hi Folks, Sorry for the non-ccp4 post.
I am trying to determine what is the best form of unmerged reflection data to deposit to the PDB. I have single wavelength anomalous data for my structure and I have two flavors of scaled files from the same exact set of diffraction images: (1) data indexed and scaled in p1, and (2) data indexed in p222, scaled in Scalepack using the "no merge original index" option and converted to .mtz since the unit cell in the header of the output .sca file was missing. The space group for the dataset is p212121. Please could you let me know what might be the best approach. Many thanks and cheers, Raji -- Raji Edayathumangalam Instructor in Neurology, Harvard Medical School Research Associate, Brigham and Women's Hospital Visiting Research Scholar, Brandeis University
