Data quality metrics extracted from 5sfc.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": "57f9160987c2906119a6027fe544e5da",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.257,
    "b": 135.257,
    "c": 235.691,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.510,2.180],
    "number_observations": 483970,
    "number_observations_unique": 83623,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.100
      },
      {
        "type": "R(meas)",
        "value": 0.110
      },
      {
        "type": "I/SigI",
        "value": 12.110
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 5.788
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [2.240,2.180],
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      "number_observations_unique": 6176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.750
        },
        {
          "type": "R(meas)",
          "value": 1.936
        },
        {
          "type": "I/SigI",
          "value": 1.080
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 5.518
        },
        {
          "type": "CC(1/2)",
          "value": 0.430
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.240],
      "number_observations": 31006,
      "number_observations_unique": 5861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.488
        },
        {
          "type": "R(meas)",
          "value": 1.657
        },
        {
          "type": "I/SigI",
          "value": 1.460
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 5.290
        },
        {
          "type": "CC(1/2)",
          "value": 0.566
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.300],
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      "number_observations_unique": 5850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.899
        },
        {
          "type": "R(meas)",
          "value": 0.985
        },
        {
          "type": "I/SigI",
          "value": 2.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.019
        },
        {
          "type": "CC(1/2)",
          "value": 0.672
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.360],
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      "number_observations_unique": 5691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.708
        },
        {
          "type": "R(meas)",
          "value": 0.776
        },
        {
          "type": "I/SigI",
          "value": 2.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.018
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.440],
      "number_observations": 33162,
      "number_observations_unique": 5586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.609
        },
        {
          "type": "R(meas)",
          "value": 0.668
        },
        {
          "type": "I/SigI",
          "value": 3.040
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.937
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.520],
      "number_observations": 31276,
      "number_observations_unique": 5334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        },
        {
          "type": "R(meas)",
          "value": 0.488
        },
        {
          "type": "I/SigI",
          "value": 4.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.864
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.610],
      "number_observations": 28956,
      "number_observations_unique": 5197,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.376
        },
        {
          "type": "R(meas)",
          "value": 0.416
        },
        {
          "type": "I/SigI",
          "value": 5.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.572
        },
        {
          "type": "CC(1/2)",
          "value": 0.910
        }
      ]
    },
    {
      "resolution_limits": [2.810,2.700],
      "number_observations": 27919,
      "number_observations_unique": 4951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "R(meas)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 6.120
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.639
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
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      ]
    },
    {
      "resolution_limits": [2.940,2.810],
      "number_observations": 28942,
      "number_observations_unique": 4766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.243
        },
        {
          "type": "I/SigI",
          "value": 7.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.073
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        {
          "type": "CC(1/2)",
          "value": 0.974
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      ]
    },
    {
      "resolution_limits": [3.080,2.940],
      "number_observations": 27757,
      "number_observations_unique": 4585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.187
        },
        {
          "type": "I/SigI",
          "value": 10.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.054
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        {
          "type": "CC(1/2)",
          "value": 0.982
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      ]
    },
    {
      "resolution_limits": [3.250,3.080],
      "number_observations": 25849,
      "number_observations_unique": 4332,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 13.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.967
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.450,3.250],
      "number_observations": 23521,
      "number_observations_unique": 4094,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 17.470
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.745
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
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      ]
    },
    {
      "resolution_limits": [3.690,3.450],
      "number_observations": 20656,
      "number_observations_unique": 3831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.080
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        {
          "type": "I/SigI",
          "value": 21.660
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 5.392
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        {
          "type": "CC(1/2)",
          "value": 0.995
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      ]
    },
    {
      "resolution_limits": [3.980,3.690],
      "number_observations": 21289,
      "number_observations_unique": 3594,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
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        {
          "type": "R(meas)",
          "value": 0.065
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        {
          "type": "I/SigI",
          "value": 26.910
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 5.923
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        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.360,3.980],
      "number_observations": 19794,
      "number_observations_unique": 3294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.052
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        {
          "type": "I/SigI",
          "value": 31.520
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.009
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
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      "number_observations_unique": 2991,
      "quality_factors": [
        {
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          "value": 0.043
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        {
          "type": "R(meas)",
          "value": 0.048
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        {
          "type": "I/SigI",
          "value": 34.630
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 5.809
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
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      "number_observations_unique": 2631,
      "quality_factors": [
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          "value": 0.043
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        {
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        },
        {
          "type": "I/SigI",
          "value": 33.090
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 5.394
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [6.890,5.630],
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      "number_observations_unique": 2217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.047
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        {
          "type": "I/SigI",
          "value": 34.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.132
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [9.750,6.890],
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      "number_observations_unique": 1716,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.038
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        {
          "type": "I/SigI",
          "value": 40.330
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.670
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.510,9.750],
      "number_observations": 5418,
      "number_observations_unique": 926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 44.910
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        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 5.851
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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