Data quality metrics extracted from 7kqo.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": "6f5b9a719ddc15e402a1833079124778",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.72,
    "b": 88.72,
    "c": 39.68,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03324],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 2357391,
    "number_observations_unique": 270575,
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        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "R(meas)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 13.580
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 4.434
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [0.870,0.850],
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      "number_observations_unique": 39161,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.848
        },
        {
          "type": "R(meas)",
          "value": 2.215
        },
        {
          "type": "I/SigI",
          "value": 0.560
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.216
        },
        {
          "type": "CC(1/2)",
          "value": 0.250
        }
      ]
    },
    {
      "resolution_limits": [0.900,0.870],
      "number_observations": 126503,
      "number_observations_unique": 38359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.393
        },
        {
          "type": "R(meas)",
          "value": 1.661
        },
        {
          "type": "I/SigI",
          "value": 0.760
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.298
        },
        {
          "type": "CC(1/2)",
          "value": 0.365
        }
      ]
    },
    {
      "resolution_limits": [0.920,0.900],
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      "number_observations_unique": 37380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.023
        },
        {
          "type": "R(meas)",
          "value": 1.227
        },
        {
          "type": "I/SigI",
          "value": 1.040
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.214
        },
        {
          "type": "CC(1/2)",
          "value": 0.523
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      ]
    },
    {
      "resolution_limits": [0.950,0.920],
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      "number_observations_unique": 36084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.750
        },
        {
          "type": "R(meas)",
          "value": 0.900
        },
        {
          "type": "I/SigI",
          "value": 1.420
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.187
        },
        {
          "type": "CC(1/2)",
          "value": 0.654
        }
      ]
    },
    {
      "resolution_limits": [0.980,0.950],
      "number_observations": 119287,
      "number_observations_unique": 35015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.573
        },
        {
          "type": "R(meas)",
          "value": 0.679
        },
        {
          "type": "I/SigI",
          "value": 1.950
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.407
        },
        {
          "type": "CC(1/2)",
          "value": 0.786
        }
      ]
    },
    {
      "resolution_limits": [1.020,0.980],
      "number_observations": 114705,
      "number_observations_unique": 34061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "R(meas)",
          "value": 0.490
        },
        {
          "type": "I/SigI",
          "value": 2.670
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.368
        },
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    },
    {
      "resolution_limits": [1.050,1.020],
      "number_observations": 107204,
      "number_observations_unique": 32725,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "R(meas)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 3.740
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.276
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [1.100,1.050],
      "number_observations": 100388,
      "number_observations_unique": 31384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.241
        },
        {
          "type": "I/SigI",
          "value": 5.260
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.199
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
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      ]
    },
    {
      "resolution_limits": [1.150,1.100],
      "number_observations": 105224,
      "number_observations_unique": 30259,
      "quality_factors": [
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          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "I/SigI",
          "value": 7.440
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.477
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        {
          "type": "CC(1/2)",
          "value": 0.979
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      ]
    },
    {
      "resolution_limits": [1.200,1.150],
      "number_observations": 113656,
      "number_observations_unique": 29004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 10.020
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.919
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        {
          "type": "CC(1/2)",
          "value": 0.988
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      ]
    },
    {
      "resolution_limits": [1.270,1.200],
      "number_observations": 140983,
      "number_observations_unique": 27457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.105
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        {
          "type": "I/SigI",
          "value": 14.190
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.135
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.270],
      "number_observations": 163967,
      "number_observations_unique": 26067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 18.920
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.290
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [1.440,1.340],
      "number_observations": 165458,
      "number_observations_unique": 24436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
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        {
          "type": "R(meas)",
          "value": 0.072
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        {
          "type": "I/SigI",
          "value": 23.510
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.771
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [1.550,1.440],
      "number_observations": 158007,
      "number_observations_unique": 22836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
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        {
          "type": "R(meas)",
          "value": 0.058
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        {
          "type": "I/SigI",
          "value": 29.290
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.919
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [1.700,1.550],
      "number_observations": 140000,
      "number_observations_unique": 20994,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
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        {
          "type": "R(meas)",
          "value": 0.049
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        {
          "type": "I/SigI",
          "value": 35.160
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "quality_factors": [
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          "value": 0.038
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        {
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          "value": 0.041
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        {
          "type": "I/SigI",
          "value": 40.760
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
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        {
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      ]
    },
    {
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      "number_observations_unique": 16665,
      "quality_factors": [
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          "value": 0.033
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        {
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        {
          "type": "I/SigI",
          "value": 47.910
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 6.632
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [2.690,2.190],
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      "number_observations_unique": 14127,
      "quality_factors": [
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          "value": 0.029
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        {
          "type": "R(meas)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 52.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.793
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [3.800,2.690],
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      "number_observations_unique": 10880,
      "quality_factors": [
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          "value": 0.030
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        {
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          "value": 0.032
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        {
          "type": "I/SigI",
          "value": 54.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.373
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [44.360,3.800],
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      "number_observations_unique": 5942,
      "quality_factors": [
        {
          "type": "R(merge)",
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        {
          "type": "R(meas)",
          "value": 0.036
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        {
          "type": "I/SigI",
          "value": 59.640
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.144
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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