Data quality metrics extracted from 5qu7.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": "2b7011723ca470de9a4fe88214d515dc",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 48.87,
    "c": 55.10,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00005],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 28241,
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        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 9.490
      },
      {
        "type": "Completeness",
        "value": 96.500
      },
      {
        "type": "Redundancy",
        "value": 6.34
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 1521,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 3.425
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        {
          "type": "R(meas)",
          "value": 4.169
        },
        {
          "type": "I/SigI",
          "value": 0.250
        },
        {
          "type": "Completeness",
          "value": 72.100
        },
        {
          "type": "Redundancy",
          "value": 2.947
        },
        {
          "type": "CC(1/2)",
          "value": 0.222
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.300],
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      "number_observations_unique": 1787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.372
        },
        {
          "type": "R(meas)",
          "value": 2.818
        },
        {
          "type": "I/SigI",
          "value": 0.390
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        {
          "type": "Completeness",
          "value": 84.900
        },
        {
          "type": "Redundancy",
          "value": 3.271
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        {
          "type": "CC(1/2)",
          "value": 0.325
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      ]
    },
    {
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      "quality_factors": [
        {
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          "value": 2.091
        },
        {
          "type": "R(meas)",
          "value": 2.428
        },
        {
          "type": "I/SigI",
          "value": 0.560
        },
        {
          "type": "Completeness",
          "value": 95.600
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        {
          "type": "Redundancy",
          "value": 3.745
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        {
          "type": "CC(1/2)",
          "value": 0.561
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    },
    {
      "resolution_limits": [1.420,1.380],
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      "number_observations_unique": 1934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.583
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        {
          "type": "R(meas)",
          "value": 1.761
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        {
          "type": "I/SigI",
          "value": 0.880
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        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 5.132
        },
        {
          "type": "CC(1/2)",
          "value": 0.678
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.420],
      "number_observations": 13549,
      "number_observations_unique": 1893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.320
        },
        {
          "type": "R(meas)",
          "value": 1.424
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.157
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
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      ]
    },
    {
      "resolution_limits": [1.520,1.470],
      "number_observations": 13219,
      "number_observations_unique": 1842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.888
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        {
          "type": "R(meas)",
          "value": 0.958
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        {
          "type": "I/SigI",
          "value": 2.120
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.176
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        {
          "type": "CC(1/2)",
          "value": 0.917
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      ]
    },
    {
      "resolution_limits": [1.580,1.520],
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      "number_observations_unique": 1794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.683
        },
        {
          "type": "R(meas)",
          "value": 0.736
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        {
          "type": "I/SigI",
          "value": 2.810
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.321
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        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [1.640,1.580],
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      "number_observations_unique": 1712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.488
        },
        {
          "type": "R(meas)",
          "value": 0.528
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        {
          "type": "I/SigI",
          "value": 3.750
        },
        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 6.886
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
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      ]
    },
    {
      "resolution_limits": [1.710,1.640],
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      "number_observations_unique": 1656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "R(meas)",
          "value": 0.371
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        {
          "type": "I/SigI",
          "value": 5.380
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.640
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        {
          "type": "CC(1/2)",
          "value": 0.983
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      ]
    },
    {
      "resolution_limits": [1.800,1.710],
      "number_observations": 11866,
      "number_observations_unique": 1584,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.243
        },
        {
          "type": "R(meas)",
          "value": 0.261
        },
        {
          "type": "I/SigI",
          "value": 7.410
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.491
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        {
          "type": "CC(1/2)",
          "value": 0.993
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      ]
    },
    {
      "resolution_limits": [1.890,1.800],
      "number_observations": 10713,
      "number_observations_unique": 1511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "R(meas)",
          "value": 0.159
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        {
          "type": "I/SigI",
          "value": 10.730
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.090
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.890],
      "number_observations": 10304,
      "number_observations_unique": 1435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 14.460
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.180
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [2.150,2.010],
      "number_observations": 9988,
      "number_observations_unique": 1338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
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        {
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          "value": 0.088
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        {
          "type": "I/SigI",
          "value": 19.010
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 7.465
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [2.320,2.150],
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      "number_observations_unique": 1274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
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        {
          "type": "R(meas)",
          "value": 0.077
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        {
          "type": "I/SigI",
          "value": 21.600
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 7.341
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [2.540,2.320],
      "number_observations": 8106,
      "number_observations_unique": 1185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
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        {
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          "value": 0.071
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        {
          "type": "I/SigI",
          "value": 22.570
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        {
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        {
          "type": "Redundancy",
          "value": 6.841
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        {
          "type": "CC(1/2)",
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    {
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      "number_observations_unique": 1053,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.058
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        {
          "type": "R(meas)",
          "value": 0.063
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        {
          "type": "I/SigI",
          "value": 26.590
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 7.500
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "number_observations_unique": 951,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 28.130
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 7.095
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        {
          "type": "CC(1/2)",
          "value": 0.993
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      ]
    },
    {
      "resolution_limits": [4.020,3.280],
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      "number_observations_unique": 819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.058
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        {
          "type": "I/SigI",
          "value": 29.030
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        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.546
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
      "resolution_limits": [5.680,4.020],
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      "number_observations_unique": 644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
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        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 30.380
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.939
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [36.590,5.680],
      "number_observations": 2334,
      "number_observations_unique": 393,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
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        {
          "type": "R(meas)",
          "value": 0.062
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        {
          "type": "I/SigI",
          "value": 27.370
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        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 5.939
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      ]
    }
  ]

}
  

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


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