Hi Maia, if you got a new fobs data file, where does the new array of free-R flags come from? If you are using the old one, are you sure that the set of Miller indices (hkl) in the old free-R flags array is exactly the same as the set of Miller indices corresponding to the new fobs? I guess the root of the problems is here. That is there is no one-to-one correspondence between {h,k,l}_fobs<->{h,k,l}_flags... there may be a few extra or missing reflections, so you get the mismatch. Pavel. On 9/25/09 9:03 AM, Maia Cherney wrote:
Hi Pavel, I reprocessed data and got a new mtz file. I removed the r-free_flags remark from the pdb. Whe I try the refinement with the new .mtz I got this error.
Sorry: R-free flags not compatible with F-obs array: missing flag for 1 F-obs selected for refinement: h k l data sigmas 6 1 0 1370 20.29
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