Data quality metrics extracted from 8e8d.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.2",
  "uuid": "c0e83d896911bcbb5acac516cba9ff85",
  "space_group_name": "P 61",
  "unit_cell": {
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    "b": 98.48,
    "c": 81.68,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97618],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 52662,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.750
      },
      {
        "type": "R(meas)",
        "value": 0.764
      },
      {
        "type": "I/SigI",
        "value": 16.870
      },
      {
        "type": "Completeness",
        "value": 95.300
      },
      {
        "type": "Redundancy",
        "value": 13.058
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 2102,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.614
        },
        {
          "type": "I/SigI",
          "value": 1.710
        },
        {
          "type": "Completeness",
          "value": 51.600
        },
        {
          "type": "Redundancy",
          "value": 2.659
        },
        {
          "type": "CC(1/2)",
          "value": 0.717
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.110],
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      "number_observations_unique": 3536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "R(meas)",
          "value": 0.473
        },
        {
          "type": "I/SigI",
          "value": 2.820
        },
        {
          "type": "Completeness",
          "value": 88.700
        },
        {
          "type": "Redundancy",
          "value": 4.173
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [2.230,2.160],
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      "number_observations_unique": 3672,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.330
        },
        {
          "type": "R(meas)",
          "value": 0.369
        },
        {
          "type": "I/SigI",
          "value": 3.930
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 4.995
        },
        {
          "type": "CC(1/2)",
          "value": 0.920
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      ]
    },
    {
      "resolution_limits": [2.300,2.230],
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      "number_observations_unique": 3816,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.294
        },
        {
          "type": "R(meas)",
          "value": 0.322
        },
        {
          "type": "I/SigI",
          "value": 5.010
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.038
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.300],
      "number_observations": 27193,
      "number_observations_unique": 3617,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.264
        },
        {
          "type": "I/SigI",
          "value": 6.680
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.518
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.450,2.370],
      "number_observations": 36348,
      "number_observations_unique": 3531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "R(meas)",
          "value": 0.239
        },
        {
          "type": "I/SigI",
          "value": 8.950
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.294
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
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      ]
    },
    {
      "resolution_limits": [2.550,2.450],
      "number_observations": 37622,
      "number_observations_unique": 3406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.193
        },
        {
          "type": "R(meas)",
          "value": 0.203
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        {
          "type": "I/SigI",
          "value": 10.550
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.046
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.550],
      "number_observations": 36513,
      "number_observations_unique": 3290,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "R(meas)",
          "value": 0.170
        },
        {
          "type": "I/SigI",
          "value": 12.450
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
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      ]
    },
    {
      "resolution_limits": [2.770,2.650],
      "number_observations": 34449,
      "number_observations_unique": 3127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.137
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        {
          "type": "I/SigI",
          "value": 14.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.017
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.770],
      "number_observations": 33349,
      "number_observations_unique": 3046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 16.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.948
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [3.060,2.900],
      "number_observations": 34455,
      "number_observations_unique": 2820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.527
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        {
          "type": "R(meas)",
          "value": 0.546
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        {
          "type": "I/SigI",
          "value": 19.330
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.218
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        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.250,3.060],
      "number_observations": 42082,
      "number_observations_unique": 2704,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.703
        },
        {
          "type": "R(meas)",
          "value": 0.726
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        {
          "type": "I/SigI",
          "value": 22.280
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.563
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [3.470,3.250],
      "number_observations": 39809,
      "number_observations_unique": 2559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.742
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        {
          "type": "R(meas)",
          "value": 0.768
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        {
          "type": "I/SigI",
          "value": 24.230
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 15.556
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        {
          "type": "CC(1/2)",
          "value": 0.995
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    {
      "resolution_limits": [3.750,3.470],
      "number_observations": 43639,
      "number_observations_unique": 2355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.763
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        {
          "type": "R(meas)",
          "value": 0.784
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        {
          "type": "I/SigI",
          "value": 28.490
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 18.530
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [4.110,3.750],
      "number_observations": 48472,
      "number_observations_unique": 2178,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.779
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        {
          "type": "R(meas)",
          "value": 0.797
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        {
          "type": "I/SigI",
          "value": 32.720
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 22.255
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
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    {
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      "number_observations_unique": 1959,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.788
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        {
          "type": "R(meas)",
          "value": 0.801
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        {
          "type": "I/SigI",
          "value": 41.560
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 31.841
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
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    {
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.785
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        {
          "type": "R(meas)",
          "value": 0.797
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        {
          "type": "I/SigI",
          "value": 42.410
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 32.292
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [6.490,5.300],
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      "number_observations_unique": 1461,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.760
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        {
          "type": "R(meas)",
          "value": 0.773
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        {
          "type": "I/SigI",
          "value": 41.260
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 30.524
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        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [9.180,6.490],
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      "number_observations_unique": 1130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.791
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        {
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          "value": 0.804
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        {
          "type": "I/SigI",
          "value": 45.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.035
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        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [31.430,9.180],
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      "number_observations_unique": 616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
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        {
          "type": "R(meas)",
          "value": 0.493
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        {
          "type": "I/SigI",
          "value": 47.400
        },
        {
          "type": "Completeness",
          "value": 99.400
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        {
          "type": "Redundancy",
          "value": 22.485
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        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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