Data quality metrics extracted from 7k72.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": "4b27cfcea499cd89a10430febbed0fec",
  "space_group_name": "P 1",
  "unit_cell": {
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    "b": 63.81,
    "c": 120.73,
    "alpha": 96.22,
    "beta": 89.55,
    "gamma": 111.97
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations": 339637,
    "number_observations_unique": 86267,
    "quality_factors": [
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        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 14.180
      },
      {
        "type": "Completeness",
        "value": 98.100
      },
      {
        "type": "Redundancy",
        "value": 3.937
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
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      "resolution_limits": [2.100,2.050],
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      "number_observations_unique": 6275,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.593
        },
        {
          "type": "R(meas)",
          "value": 0.685
        },
        {
          "type": "I/SigI",
          "value": 2.390
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.982
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.100],
      "number_observations": 24536,
      "number_observations_unique": 6170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
        },
        {
          "type": "R(meas)",
          "value": 0.559
        },
        {
          "type": "I/SigI",
          "value": 2.960
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 3.977
        },
        {
          "type": "CC(1/2)",
          "value": 0.836
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.160],
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      "number_observations_unique": 6035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "R(meas)",
          "value": 0.431
        },
        {
          "type": "I/SigI",
          "value": 3.920
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 3.974
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        {
          "type": "CC(1/2)",
          "value": 0.898
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      ]
    },
    {
      "resolution_limits": [2.290,2.220],
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      "number_observations_unique": 5813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "R(meas)",
          "value": 0.355
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        {
          "type": "I/SigI",
          "value": 4.650
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 3.975
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.290],
      "number_observations": 22572,
      "number_observations_unique": 5686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "R(meas)",
          "value": 0.309
        },
        {
          "type": "I/SigI",
          "value": 5.370
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 3.970
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
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      ]
    },
    {
      "resolution_limits": [2.450,2.370],
      "number_observations": 21803,
      "number_observations_unique": 5493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "R(meas)",
          "value": 0.263
        },
        {
          "type": "I/SigI",
          "value": 6.250
        },
        {
          "type": "Completeness",
          "value": 97.800
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        {
          "type": "Redundancy",
          "value": 3.969
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        {
          "type": "CC(1/2)",
          "value": 0.960
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      ]
    },
    {
      "resolution_limits": [2.540,2.450],
      "number_observations": 21000,
      "number_observations_unique": 5303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "R(meas)",
          "value": 0.211
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        {
          "type": "I/SigI",
          "value": 7.730
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        {
          "type": "Completeness",
          "value": 98.100
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        {
          "type": "Redundancy",
          "value": 3.960
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.540],
      "number_observations": 20273,
      "number_observations_unique": 5116,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 9.130
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        {
          "type": "Completeness",
          "value": 98.100
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        {
          "type": "Redundancy",
          "value": 3.963
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        {
          "type": "CC(1/2)",
          "value": 0.979
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      ]
    },
    {
      "resolution_limits": [2.760,2.650],
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      "number_observations_unique": 4879,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "R(meas)",
          "value": 0.139
        },
        {
          "type": "I/SigI",
          "value": 11.080
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        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 3.957
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        {
          "type": "CC(1/2)",
          "value": 0.988
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      ]
    },
    {
      "resolution_limits": [2.900,2.760],
      "number_observations": 18670,
      "number_observations_unique": 4748,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.103
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        {
          "type": "I/SigI",
          "value": 14.440
        },
        {
          "type": "Completeness",
          "value": 98.400
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        {
          "type": "Redundancy",
          "value": 3.932
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        {
          "type": "CC(1/2)",
          "value": 0.993
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      ]
    },
    {
      "resolution_limits": [3.060,2.900],
      "number_observations": 17543,
      "number_observations_unique": 4462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
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        {
          "type": "R(meas)",
          "value": 0.084
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        {
          "type": "I/SigI",
          "value": 17.420
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        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.932
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.060],
      "number_observations": 16657,
      "number_observations_unique": 4246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.067
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        {
          "type": "I/SigI",
          "value": 20.770
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        {
          "type": "Completeness",
          "value": 98.700
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        {
          "type": "Redundancy",
          "value": 3.923
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [3.470,3.240],
      "number_observations": 15524,
      "number_observations_unique": 3971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
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        {
          "type": "R(meas)",
          "value": 0.053
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        {
          "type": "I/SigI",
          "value": 25.160
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        {
          "type": "Completeness",
          "value": 98.900
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        {
          "type": "Redundancy",
          "value": 3.909
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        {
          "type": "CC(1/2)",
          "value": 0.997
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    {
      "resolution_limits": [3.740,3.470],
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      "number_observations_unique": 3731,
      "quality_factors": [
        {
          "type": "R(merge)",
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        {
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        {
          "type": "I/SigI",
          "value": 28.330
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        {
          "type": "Completeness",
          "value": 99.000
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        {
          "type": "Redundancy",
          "value": 3.890
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [4.100,3.740],
      "number_observations": 13240,
      "number_observations_unique": 3415,
      "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": 31.760
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        {
          "type": "Completeness",
          "value": 98.800
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        {
          "type": "Redundancy",
          "value": 3.877
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        {
          "type": "CC(1/2)",
          "value": 0.998
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    {
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      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
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        {
          "type": "R(meas)",
          "value": 0.036
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        {
          "type": "I/SigI",
          "value": 34.440
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        {
          "type": "Completeness",
          "value": 99.200
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        {
          "type": "Redundancy",
          "value": 3.878
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 2737,
      "quality_factors": [
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          "value": 0.031
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        {
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          "value": 0.036
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        {
          "type": "I/SigI",
          "value": 34.600
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        {
          "type": "Completeness",
          "value": 99.400
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        {
          "type": "Redundancy",
          "value": 3.851
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        {
          "type": "CC(1/2)",
          "value": 0.998
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      ]
    },
    {
      "resolution_limits": [6.480,5.290],
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      "number_observations_unique": 2316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
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        {
          "type": "R(meas)",
          "value": 0.039
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        {
          "type": "I/SigI",
          "value": 33.710
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        {
          "type": "Completeness",
          "value": 99.400
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        {
          "type": "Redundancy",
          "value": 3.855
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [9.170,6.480],
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      "number_observations_unique": 1781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
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        {
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          "value": 0.033
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        {
          "type": "I/SigI",
          "value": 36.530
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.817
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [44.590,9.170],
      "number_observations": 3570,
      "number_observations_unique": 972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
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        {
          "type": "R(meas)",
          "value": 0.034
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        {
          "type": "I/SigI",
          "value": 39.920
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        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.673
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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