Data quality metrics extracted from 3d93.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "169dfdcdb15ae0e492154e0372622383",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.215,
    "b": 41.514,
    "c": 72.346,
    "alpha": 90.00,
    "beta": 104.15,
    "gamma": 90.00
  },
  "wavelengths": [0.97720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.100],
    "number_observations_unique": 91517,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "Completeness",
        "value": 93.100
      },
      {
        "type": "Redundancy",
        "value": 7.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.12,1.10],
      "number_observations_unique": 4410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.506
        },
        {
          "type": "Completeness",
          "value": 89.70
        },
        {
          "type": "Redundancy",
          "value": 5.80
        }
      ]
    },
    {
      "resolution_limits": [1.14,1.12],
      "number_observations_unique": 4388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "Completeness",
          "value": 89.90
        },
        {
          "type": "Redundancy",
          "value": 6.00
        }
      ]
    },
    {
      "resolution_limits": [1.16,1.14],
      "number_observations_unique": 4410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.395
        },
        {
          "type": "Completeness",
          "value": 90.60
        },
        {
          "type": "Redundancy",
          "value": 6.20
        }
      ]
    },
    {
      "resolution_limits": [1.18,1.16],
      "number_observations_unique": 4467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.361
        },
        {
          "type": "Completeness",
          "value": 91.00
        },
        {
          "type": "Redundancy",
          "value": 6.40
        }
      ]
    },
    {
      "resolution_limits": [1.21,1.18],
      "number_observations_unique": 4462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "Completeness",
          "value": 91.20
        },
        {
          "type": "Redundancy",
          "value": 6.60
        }
      ]
    },
    {
      "resolution_limits": [1.24,1.21],
      "number_observations_unique": 4478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.339
        },
        {
          "type": "Completeness",
          "value": 91.70
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [1.27,1.24],
      "number_observations_unique": 4489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "Completeness",
          "value": 92.00
        },
        {
          "type": "Redundancy",
          "value": 7.00
        }
      ]
    },
    {
      "resolution_limits": [1.30,1.27],
      "number_observations_unique": 4543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "Completeness",
          "value": 92.70
        },
        {
          "type": "Redundancy",
          "value": 7.20
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.30],
      "number_observations_unique": 4568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "Completeness",
          "value": 92.70
        },
        {
          "type": "Redundancy",
          "value": 7.30
        }
      ]
    },
    {
      "resolution_limits": [1.39,1.34],
      "number_observations_unique": 4534,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "Completeness",
          "value": 93.30
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.39],
      "number_observations_unique": 4606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "Completeness",
          "value": 93.70
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [1.49,1.44],
      "number_observations_unique": 4613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.168
        },
        {
          "type": "Completeness",
          "value": 94.20
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [1.56,1.49],
      "number_observations_unique": 4653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "Completeness",
          "value": 94.60
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.56],
      "number_observations_unique": 4677,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "Completeness",
          "value": 95.00
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [1.75,1.64],
      "number_observations_unique": 4686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "Completeness",
          "value": 95.50
        },
        {
          "type": "Redundancy",
          "value": 7.30
        }
      ]
    },
    {
      "resolution_limits": [1.88,1.75],
      "number_observations_unique": 4733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "Completeness",
          "value": 96.10
        },
        {
          "type": "Redundancy",
          "value": 7.30
        }
      ]
    },
    {
      "resolution_limits": [2.07,1.88],
      "number_observations_unique": 4782,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "Completeness",
          "value": 96.70
        },
        {
          "type": "Redundancy",
          "value": 7.40
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.07],
      "number_observations_unique": 4802,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "Completeness",
          "value": 97.40
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.37],
      "number_observations_unique": 4891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "Completeness",
          "value": 98.00
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [20.00,2.98],
      "number_observations_unique": 4325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 85.20
        },
        {
          "type": "Redundancy",
          "value": 6.30
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):

  Overall InnerShell OuterShell
Low resolution limit [Å] 20.000 20.000 1.140
High resolution limit [Å] 1.100 2.980 1.120
R(merge) 0.0800 0.0550 0.4220
Completeness [%] 93.1 85.2 89.9
Multiplicity 7.0 6.3 6.0


Binned data generated from MXLIMS-JSON (via JavaScript):

Resolution [Å] R(merge) Completeness [%] Multiplicity
20.000-2.980 0.0550 85.2 6.3
2.980-2.370 0.0430 98.0 7.5
2.370-2.070 0.0450 97.4 7.5
2.070-1.880 0.0540 96.7 7.4
1.880-1.750 0.0740 96.1 7.3
1.750-1.640 0.0920 95.5 7.3
1.640-1.560 0.1070 95.0 7.4
1.560-1.490 0.1360 94.6 7.4
1.490-1.440 0.1680 94.2 7.4
1.440-1.390 0.2170 93.7 7.4
1.390-1.340 0.2650 93.3 7.4
1.340-1.300 0.2870 92.7 7.3
1.300-1.270 0.3050 92.7 7.2
1.270-1.240 0.3320 92.0 7.0
1.240-1.210 0.3390 91.7 6.7
1.210-1.180 0.3500 91.2 6.6
1.180-1.160 0.3610 91.0 6.4
1.160-1.140 0.3950 90.6 6.2
1.140-1.120 0.4220 89.9 6.0
1.120-1.100 0.5060 89.7 5.8