> 
> I'm guessing the low completeness of the 1.65 angstrom dataset has to do with 
> obstacles the processing software encountered on a sizable wedge of frames 
> (there were swaths of in red in HKL2000). I'm not sure why this dataset in 
> particular was less complete than the others.


This is bad. Large swaths of red circles during integration is bad. I believe 
(check the Denzo manual) this means overlaps and overlaps get thrown out. Thus 
you are getting lower completeness. Was your oscillation range too large? 
Crystal very mosaic?

However this could be because of a poor crystal orientation matrix by HKL2000 
which in some cases can be alleviated by mosflm and xds. (HKL2000 is much more 
manual, there's a lot of buttons, which means you can shoot yourself in the 
foot if you are not careful).

I would be particularly interested in a resolution bin breakdown in the 
integration and merging statistics. (I/sig and rmerge). You might as well post 
the refinement statistics (r and rfree) by resolution bin as well.

You have a smallish unit cell that shoots to high resolution and getting a 
reasonable completion of the low resolution bins is paramount.  Post the 
completeness of the 20-10A bin. 

Is this molecular replacement? How complete is the model? Aside from the 
completeness of the model, how far is it from the target?

You mentioned that some regions of your crystal had smeary spots. This is also 
bad, particularly if the errors are not random  (I.e anisotropic along one 
axis). This will confuse ML refinement. Let's see a single frame of your data.

Cheers,
F

Reply via email to