Cxi02416-refine.phil: Difference between revisions

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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 23:49, 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
          }
        }
      }
    }
  }
}