Difference between revisions of "Cxi02416-refine.phil"

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(Created page with "<pre> refinement { refinery.engine = SparseLevMar parameterisation { beam.fix=all #detector.fix_list=Dist,Tau1 # fix detector rotz and distance detector.fix_li...")
 
 
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<pre>
 
<pre>
 
refinement {
 
refinement {
  refinery.engine = SparseLevMar
 
 
   parameterisation {
 
   parameterisation {
    beam.fix=all
 
    #detector.fix_list=Dist,Tau1 # fix detector rotz and distance
 
    detector.fix_list=Tau1 # fix detector rotz, allow distance to refine
 
    auto_reduction {
 
      action=fix
 
      min_nref_per_parameter=3
 
    }
 
 
     crystal {
 
     crystal {
 
       unit_cell {
 
       unit_cell {
 
         restraints {
 
         restraints {
 
           tie_to_target {
 
           tie_to_target {
             values=78.9,78.9,38.1,90,90,90
+
             values=79.1,79.1,38.3,90,90,90
 
             sigmas=1,1,1,0,0,0
 
             sigmas=1,1,1,0,0,0
 
             apply_to_all=True
 
             apply_to_all=True
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         }
 
         }
 
       }
 
       }
    }
 
  }
 
  reflections {
 
    outlier {
 
      algorithm=sauter_poon
 
      separate_panels=True
 
      separate_experiments=False
 
 
     }
 
     }
 
   }
 
   }
 
}
 
}
 
</pre>
 
</pre>

Latest revision as of 16:49, 18 May 2016

refinement {
  parameterisation {
    crystal {
      unit_cell {
        restraints {
          tie_to_target {
            values=79.1,79.1,38.3,90,90,90
            sigmas=1,1,1,0,0,0
            apply_to_all=True
          }
        }
      }
    }
  }
}