Data quality metrics extracted from 6wuk.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": "222d3994539dc8953b1aecccd52ad5cf",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
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    "b": 87.665,
    "c": 54.023,
    "alpha": 90.00,
    "beta": 112.24,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 56513,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 13.730
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 3.771
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [1.640,1.600],
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.757
        },
        {
          "type": "R(meas)",
          "value": 0.884
        },
        {
          "type": "I/SigI",
          "value": 1.560
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 3.675
        },
        {
          "type": "CC(1/2)",
          "value": 0.758
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.640],
      "number_observations": 15141,
      "number_observations_unique": 4074,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.580
        },
        {
          "type": "R(meas)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 2.080
        },
        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 3.716
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        {
          "type": "CC(1/2)",
          "value": 0.853
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      ]
    },
    {
      "resolution_limits": [1.730,1.690],
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      "number_observations_unique": 3971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.460
        },
        {
          "type": "R(meas)",
          "value": 0.539
        },
        {
          "type": "I/SigI",
          "value": 2.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.660
        },
        {
          "type": "CC(1/2)",
          "value": 0.890
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      ]
    },
    {
      "resolution_limits": [1.790,1.730],
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      "number_observations_unique": 3840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.331
        },
        {
          "type": "R(meas)",
          "value": 0.388
        },
        {
          "type": "I/SigI",
          "value": 3.540
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.501
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.790],
      "number_observations": 14090,
      "number_observations_unique": 3737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.254
        },
        {
          "type": "R(meas)",
          "value": 0.295
        },
        {
          "type": "I/SigI",
          "value": 4.830
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.770
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
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      ]
    },
    {
      "resolution_limits": [1.910,1.850],
      "number_observations": 14423,
      "number_observations_unique": 3625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "R(meas)",
          "value": 0.249
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        {
          "type": "I/SigI",
          "value": 6.070
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.979
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
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      ]
    },
    {
      "resolution_limits": [1.980,1.910],
      "number_observations": 13764,
      "number_observations_unique": 3473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.164
        },
        {
          "type": "R(meas)",
          "value": 0.190
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        {
          "type": "I/SigI",
          "value": 7.680
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.963
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
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      ]
    },
    {
      "resolution_limits": [2.060,1.980],
      "number_observations": 13031,
      "number_observations_unique": 3361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "I/SigI",
          "value": 9.790
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.877
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        {
          "type": "CC(1/2)",
          "value": 0.989
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      ]
    },
    {
      "resolution_limits": [2.160,2.060],
      "number_observations": 12430,
      "number_observations_unique": 3200,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.100
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        {
          "type": "R(meas)",
          "value": 0.116
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        {
          "type": "I/SigI",
          "value": 12.220
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.884
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        {
          "type": "CC(1/2)",
          "value": 0.993
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      ]
    },
    {
      "resolution_limits": [2.260,2.160],
      "number_observations": 11892,
      "number_observations_unique": 3067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.101
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        {
          "type": "I/SigI",
          "value": 13.890
        },
        {
          "type": "Completeness",
          "value": 99.500
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        {
          "type": "Redundancy",
          "value": 3.877
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        {
          "type": "CC(1/2)",
          "value": 0.994
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      ]
    },
    {
      "resolution_limits": [2.380,2.260],
      "number_observations": 11049,
      "number_observations_unique": 2951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.081
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        {
          "type": "I/SigI",
          "value": 16.620
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        {
          "type": "Completeness",
          "value": 99.600
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        {
          "type": "Redundancy",
          "value": 3.744
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [2.530,2.380],
      "number_observations": 9417,
      "number_observations_unique": 2729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.068
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        {
          "type": "I/SigI",
          "value": 18.420
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        {
          "type": "Completeness",
          "value": 98.800
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        {
          "type": "Redundancy",
          "value": 3.451
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [2.700,2.530],
      "number_observations": 10049,
      "number_observations_unique": 2595,
      "quality_factors": [
        {
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          "value": 0.051
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        {
          "type": "R(meas)",
          "value": 0.059
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        {
          "type": "I/SigI",
          "value": 22.140
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        {
          "type": "Completeness",
          "value": 99.700
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        {
          "type": "Redundancy",
          "value": 3.872
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        {
          "type": "CC(1/2)",
          "value": 0.997
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    {
      "resolution_limits": [2.920,2.700],
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      "number_observations_unique": 2439,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.042
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        {
          "type": "R(meas)",
          "value": 0.048
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        {
          "type": "I/SigI",
          "value": 26.840
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        {
          "type": "Completeness",
          "value": 99.600
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        {
          "type": "Redundancy",
          "value": 3.975
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [3.200,2.920],
      "number_observations": 8648,
      "number_observations_unique": 2239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
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        {
          "type": "R(meas)",
          "value": 0.041
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        {
          "type": "I/SigI",
          "value": 30.430
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        {
          "type": "Completeness",
          "value": 99.600
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        {
          "type": "Redundancy",
          "value": 3.862
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        {
          "type": "CC(1/2)",
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      "number_observations_unique": 2031,
      "quality_factors": [
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          "value": 0.032
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 34.530
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        {
          "type": "Completeness",
          "value": 99.300
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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    },
    {
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      "number_observations_unique": 1792,
      "quality_factors": [
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          "value": 0.029
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        {
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        {
          "type": "I/SigI",
          "value": 37.580
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 3.772
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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": 1478,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.026
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        {
          "type": "R(meas)",
          "value": 0.031
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        {
          "type": "I/SigI",
          "value": 37.130
        },
        {
          "type": "Completeness",
          "value": 98.100
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        {
          "type": "Redundancy",
          "value": 3.376
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [7.150,5.060],
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      "number_observations_unique": 1195,
      "quality_factors": [
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          "value": 0.026
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        {
          "type": "R(meas)",
          "value": 0.030
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        {
          "type": "I/SigI",
          "value": 38.930
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        {
          "type": "Completeness",
          "value": 99.700
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        {
          "type": "Redundancy",
          "value": 3.915
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
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      ]
    },
    {
      "resolution_limits": [50.005,7.150],
      "number_observations": 2485,
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 40.600
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        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.748
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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):