Cxi02416-lyso-t001.phil

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Revision as of 23:37, 18 May 2016 by Aaron (Talk | contribs)

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dispatch.integrate=False
input {
  address=CxiDs2.0:Cspad.0
}
format {
  file_format=cbf
  cbf {
    detz_offset=568
    common_mode.algorithm=custom
    common_mode.custom_parameterization=5,50
  }
}
border_mask {
  border=1
}
spotfinder {
  filter.min_spot_size=2
  threshold.xds.gain=25
  threshold.xds.global_threshold=100
}
indexing {
  known_symmetry {
    space_group = P43212
    unit_cell = 79.1 79.1 38.3 90 90 90
  }
  method=real_space_grid_search
  refinement_protocol.n_macro_cycles = 1
  refinement_protocol.d_min_start=1.7
}
integration {
  integrator=stills
  profile.fitting=False
  background {
    algorithm = simple
    simple {
      model.algorithm = linear2d
      outlier.algorithm = mosflm
    }
  }
}
refinement {
  parameterisation {
    beam.fix=all
    detector.fix_list=Tau1 # fix detector rotz
    #detector.fix_list=Dist,Tau1 # fix detector rotz and distance
    detector.hierarchy_level=0
    auto_reduction {
      action=fix
      min_nref_per_parameter=1
    }
    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
          }
	}
      }
    }
  }
  reflections {
    outlier.algorithm=null
    weighting_strategy.override=stills
  }
}
profile {
  gaussian_rs {
    min_spots.overall = 0
  }
}