[phenixbb] labelit.index is too precise not to allow 0.000001 deg difference

fukamitka at chugai-pharm.co.jp fukamitka at chugai-pharm.co.jp
Sun Apr 1 22:08:53 PDT 2012


Dear Phenix developers,

I had a problem in indexing by labelit.index in phenix-1.7.3-928,
getting the error below:

InputFileError: Input error: All images must have same oscillation range (delta phi). 

My dataset was collected by inhouse R-axis with 0.8 deg oscillation.
Image header values of oscillation range fluctuate between 0.799999 - 0.800004 degrees.
When I specified two images whose delta phi angles were different, 
say 0.799999 and 0.800003, labelit.index stopped with the error above.

I don't think a goniometer have such a precision, therefore I think line 249 
in /phenix-1.7.3-928/labelit/command_line/imagefiles.py should be modified
not to use == instead of similar_delta_phi() or something.

  246   if False in [similar_wavelength(self.images[0],self.images[x]) for x in xrange(1,Nimages)]: 
  247     raise InputFileError("""All images must have similar wavelength.""") 
  248
  249   if False in [self.images[0].deltaphi==self.images[x].deltaphi for x in xrange(1,Nimages)]: 
  250     raise InputFileError("""All images must have same oscillation range (delta phi).""") 

Best regards,

Takaaki Fukami

-----
Dr. Takaaki Fukami (mailto:fukamitka at chugai-pharm.co.jp)
Discovery Research Dept. (Biostructure Gr.)
Roche Group: Chugai Pharmaceutical Co.,Ltd.



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