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The wwpdb takes any data items as in the refln category http://mmcif.pdb.org/dictionaries/mmcif_pdbx.dic/Categories/refln.html multiple data sets are accommodated by a set of values _refln.crystal_id _refln.scale_group_code _refln.wavelength_id this includes phasing by MAD while for phasing by derivatives as it is in the mmcif we can take http://mmcif.pdb.org/dictionaries/mmcif_pdbx.dic/Categories/phasing_MIR_der_refln.html there are examples in the pdb of multiple datasets and datasets with added columns kim > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > I've tried to give them phases. They won't take them. I think it would > be really helpful to have the experimental map (or a composite-omit map in > the case of MR). I don't think there is a way of representing the latter > as phases, so the option to submit phases and/or map should be available. > > Peter Adrian Meyer wrote: >> *** For details on how to be removed from this list visit the *** >> *** CCP4 home page http://www.ccp4.ac.uk *** >> >> >>> I agree that more information to referees is desirable, & I've often >> wanted to see the coordinates and the structure factors to check things. >> But to follow up after publication, there are still a lot of structures >> deposited without structure factors - why is deposition of structure >> factors not compulsory? And who can change things so that >> >> This is probably an idiot newbie question, but the vast majority of >> structures I've seen in the PDB w\ "structure factors" only have >> amplitudes. Granted, you could calculate phases from the model; but >> shouldn't a structure factor be a complex number instead of a real >> number? >> >> I'd think there should be the experimental phases, or at least model >> phases with the weighting scheme the authors used for their final maps >> for >> it to be called a structure factor...but evidentally I'm wrong. >> >> >> Pete >> >> >> Pete Meyer >> Fu Lab >> BMCB grad student >> Cornell University >> >> >> >> >
