Hi Claire, I afraid you did not provide enough information to answer your question clearly.
What reflection file you submitted to PDB? Note, Phenix refinement outputs MTZ file with four blocks of arrays: - copy of input data (Fobs or Iobs, free-R flags); - data actually used in refinement. This may be the same as above minus, for example, possibly a few reflection outliers that the program decided to not use in refinement). Or, if Iobs were given, then this array will be Fobs. - total model structure factors Fmodel (include all scales, bulk-solvent contribution etc); - various Fourier map coefficients (such as 2mFo-DFc, etc). If you submitted this file I would have no idea what data array PDB uses. If you can send me files off list for further investigation. Pavel P.S.: There is a Phenix mailing list for Phenix-related questions. On Wed, Jan 11, 2017 at 2:31 PM, Claire Smith <sclaire7...@gmail.com> wrote: > Hello, > > I am trying to run the PDB validation report for a structure that I have > refined in Phenix (data was analyzed with Xtriage). However, the run > reports a discrepancy on the completeness of data, as follows: > > % Data completeness 97.4 (29.08-2.10) Depositor > > (in resolution range) 87.5 (29.08-1.92) EDS > > > Why this discrepancy? > > > Thanks so much, > > Claire > > > >
