[phenixbb] Number of reflections

Laurent Maveyraud Laurent.Maveyraud at ipbs.fr
Tue Apr 28 22:30:11 PDT 2015


you sould not look at the number of observed reflections but at the 
number of unique reflections... These result from the merging of 
equivalent observed reflections into a unique merged reflection. The 
unique reflections are used for refinement.
 From what you say, I would say you have 172 551 observed reflections 
which reduce into 36 720 unique reflections. You have a multiplicity of 
4.69, which means that each unique reflection, on average, is the result 
of the merge of 4.7 observed reflections.
Look carefully into the logfile of your data processing/scaling 
software, you should find the right numbers !

hope this helps !

Le 29/04/2015 06:01, Ana Ramos a écrit :
> Dear all,
> I am finishing with the refinement of my structure and I noticed that the number of observed reflections used for refinement 36720 is less than 80 percent of observed reflections for data collection (172551). I am aware that the data collection statistics should be calculated in the same resolution range of refinement. Do you know the reason of this difference? I just followed the instructions from HKL where I indexed and scaled and then used Phenix for MR and refinement.
> Ana
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Laurent Maveyraud         laurent.maveyraud AT ipbs DOT fr
P I C T   ---  Plateforme Intégrée de Criblage de Toulouse
Université  Paul  Sabatier /  CNRS  /  I.P.B.S.  UMR  5089
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