Just in case you find it helpful, you can get 100% complete set of reflections (Fcalc) in specified resolution range using
phenix.fmodel model.pdb high_res=2.5 low_res=15 or if you leave out low_res it will go all the way up to theoretical limit of low resolution. If you have/use cctbx then I can show to do this at lower (Python) level. Pavel On Thu, Apr 5, 2018 at 3:52 AM, Frank von Delft <frank.vonde...@sgc.ox.ac.uk > wrote: > Hello - can anybody shed light on this mystery: > > We need (for PanDDA analysis) a lot of datasets each to have the complete > set of low resolution indices, whether measured or not. (Refmac adds the > estimates as DFc, which is crucial when comparing maps.) > > In ccp4, there are two obvious ways to get these indices complete: > > - uniqueify > - CAD using the keyword "RESOLUTION FILE 1 999 <highres>" (999 is the > low resolution limit). > > Mystifyingly, in ~1% of datasets, one or the other route misses one or two > indices. Our work-around is to go belt-and-braces and run both for each > dataset. > > > It does however remain a bug. Does anybody have any idea what's > happening? We can send example datasets to any volunteers who want to > fiddle with it. > > phx > > >
