[phenixbb] R-free flags not compatible with F-obs array

Pavel Afonine PAfonine at lbl.gov
Fri Sep 25 11:06:40 PDT 2009

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.


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
> Maia
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