Data quality metrics extracted from 5sjw.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": "e20d6be20bcd4eb4809e01bbb650e96f",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 135.122,
    "b": 135.122,
    "c": 235.325,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 448401,
    "number_observations_unique": 116264,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 15.680
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 3.857
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 8264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.820
        },
        {
          "type": "R(meas)",
          "value": 0.966
        },
        {
          "type": "I/SigI",
          "value": 1.620
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 3.459
        },
        {
          "type": "CC(1/2)",
          "value": 0.567
        }
      ]
    },
    {
      "resolution_limits": [2.060,2.000],
      "number_observations": 32126,
      "number_observations_unique": 8474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.624
        },
        {
          "type": "R(meas)",
          "value": 0.727
        },
        {
          "type": "I/SigI",
          "value": 2.340
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.791
        },
        {
          "type": "CC(1/2)",
          "value": 0.694
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.060],
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      "number_observations_unique": 8145,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "R(meas)",
          "value": 0.574
        },
        {
          "type": "I/SigI",
          "value": 2.970
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.836
        },
        {
          "type": "CC(1/2)",
          "value": 0.780
        }
      ]
    },
    {
      "resolution_limits": [2.180,2.120],
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      "number_observations_unique": 7971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "R(meas)",
          "value": 0.424
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.854
        },
        {
          "type": "CC(1/2)",
          "value": 0.874
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.180],
      "number_observations": 29976,
      "number_observations_unique": 7722,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.277
        },
        {
          "type": "R(meas)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 5.210
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.882
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.250],
      "number_observations": 28742,
      "number_observations_unique": 7410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "R(meas)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 6.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.879
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.330],
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      "number_observations_unique": 7174,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 7.850
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.420],
      "number_observations": 27187,
      "number_observations_unique": 6959,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 9.340
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.907
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
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      ]
    },
    {
      "resolution_limits": [2.630,2.520],
      "number_observations": 25862,
      "number_observations_unique": 6612,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.131
        },
        {
          "type": "I/SigI",
          "value": 12.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.911
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
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      ]
    },
    {
      "resolution_limits": [2.760,2.630],
      "number_observations": 24910,
      "number_observations_unique": 6366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.106
        },
        {
          "type": "I/SigI",
          "value": 14.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.913
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        {
          "type": "CC(1/2)",
          "value": 0.990
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      ]
    },
    {
      "resolution_limits": [2.910,2.760],
      "number_observations": 23576,
      "number_observations_unique": 6013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "I/SigI",
          "value": 16.830
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.921
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.080,2.910],
      "number_observations": 22433,
      "number_observations_unique": 5703,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 20.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.934
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.080],
      "number_observations": 21040,
      "number_observations_unique": 5354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.053
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        {
          "type": "I/SigI",
          "value": 25.770
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 3.930
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [3.560,3.300],
      "number_observations": 19688,
      "number_observations_unique": 5001,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
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        {
          "type": "R(meas)",
          "value": 0.040
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        {
          "type": "I/SigI",
          "value": 32.640
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 3.937
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [3.900,3.560],
      "number_observations": 17823,
      "number_observations_unique": 4546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
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        {
          "type": "R(meas)",
          "value": 0.034
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        {
          "type": "I/SigI",
          "value": 37.820
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 3.921
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 4171,
      "quality_factors": [
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          "value": 0.026
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        {
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          "value": 0.030
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        {
          "type": "I/SigI",
          "value": 42.380
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
          "value": 3.919
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 3664,
      "quality_factors": [
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          "value": 0.025
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        {
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        {
          "type": "I/SigI",
          "value": 45.960
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 3.919
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [6.170,5.030],
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      "number_observations_unique": 3086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
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        {
          "type": "R(meas)",
          "value": 0.030
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        {
          "type": "I/SigI",
          "value": 44.450
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.912
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [8.720,6.170],
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      "number_observations_unique": 2367,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.028
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        {
          "type": "I/SigI",
          "value": 48.010
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.883
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.670,8.720],
      "number_observations": 4544,
      "number_observations_unique": 1262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.026
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        {
          "type": "I/SigI",
          "value": 52.120
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 3.601
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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