Data quality metrics extracted from 8ekb.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": "fa432575142630c3a31527cdf9141e74",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 449.73,
    "c": 622.15,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 1538795,
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        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.184
      },
      {
        "type": "I/SigI",
        "value": 8.870
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 5.353
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 112047,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.774
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        {
          "type": "R(meas)",
          "value": 1.971
        },
        {
          "type": "I/SigI",
          "value": 0.990
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 5.184
        },
        {
          "type": "CC(1/2)",
          "value": 0.177
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.770],
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      "number_observations_unique": 111751,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.413
        },
        {
          "type": "R(meas)",
          "value": 1.565
        },
        {
          "type": "I/SigI",
          "value": 1.280
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        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 5.393
        },
        {
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          "value": 0.264
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      ]
    },
    {
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.074
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        {
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          "value": 1.192
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        {
          "type": "I/SigI",
          "value": 1.680
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        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 5.334
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        {
          "type": "CC(1/2)",
          "value": 0.382
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      ]
    },
    {
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      "number_observations_unique": 105360,
      "quality_factors": [
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          "value": 0.786
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        {
          "type": "R(meas)",
          "value": 0.874
        },
        {
          "type": "I/SigI",
          "value": 2.240
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        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 5.208
        },
        {
          "type": "CC(1/2)",
          "value": 0.536
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.020],
      "number_observations": 490950,
      "number_observations_unique": 101829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.544
        },
        {
          "type": "R(meas)",
          "value": 0.610
        },
        {
          "type": "I/SigI",
          "value": 3.060
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 4.821
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        {
          "type": "CC(1/2)",
          "value": 0.696
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      ]
    },
    {
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      "number_observations_unique": 98840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.419
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        {
          "type": "R(meas)",
          "value": 0.464
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        {
          "type": "I/SigI",
          "value": 4.210
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        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 5.330
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        {
          "type": "CC(1/2)",
          "value": 0.815
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      ]
    },
    {
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      "number_observations_unique": 95694,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.336
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        {
          "type": "R(meas)",
          "value": 0.371
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        {
          "type": "I/SigI",
          "value": 5.380
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        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 5.567
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        {
          "type": "CC(1/2)",
          "value": 0.881
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      ]
    },
    {
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      "number_observations_unique": 92061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
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        {
          "type": "R(meas)",
          "value": 0.310
        },
        {
          "type": "I/SigI",
          "value": 6.380
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        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.918
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      ]
    },
    {
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        {
          "type": "R(meas)",
          "value": 0.255
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        {
          "type": "I/SigI",
          "value": 7.590
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        {
          "type": "Completeness",
          "value": 97.800
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        {
          "type": "Redundancy",
          "value": 5.519
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        {
          "type": "CC(1/2)",
          "value": 0.943
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      ]
    },
    {
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      "number_observations_unique": 83807,
      "quality_factors": [
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          "value": 0.183
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        {
          "type": "R(meas)",
          "value": 0.201
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        {
          "type": "I/SigI",
          "value": 9.360
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        {
          "type": "Completeness",
          "value": 97.300
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        {
          "type": "Redundancy",
          "value": 5.494
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        {
          "type": "CC(1/2)",
          "value": 0.965
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      ]
    },
    {
      "resolution_limits": [4.030,3.820],
      "number_observations": 431072,
      "number_observations_unique": 79264,
      "quality_factors": [
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          "value": 0.148
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        {
          "type": "R(meas)",
          "value": 0.163
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        {
          "type": "I/SigI",
          "value": 11.200
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        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 5.438
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        {
          "type": "CC(1/2)",
          "value": 0.976
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      ]
    },
    {
      "resolution_limits": [4.270,4.030],
      "number_observations": 397783,
      "number_observations_unique": 74743,
      "quality_factors": [
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          "value": 0.123
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 12.850
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        {
          "type": "Completeness",
          "value": 96.300
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        {
          "type": "Redundancy",
          "value": 5.322
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        {
          "type": "CC(1/2)",
          "value": 0.983
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      ]
    },
    {
      "resolution_limits": [4.560,4.270],
      "number_observations": 341349,
      "number_observations_unique": 69779,
      "quality_factors": [
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        {
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          "value": 0.112
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        {
          "type": "I/SigI",
          "value": 14.500
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        {
          "type": "Completeness",
          "value": 95.700
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        {
          "type": "Redundancy",
          "value": 4.892
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        {
          "type": "CC(1/2)",
          "value": 0.987
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    {
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      "number_observations_unique": 65307,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 16.930
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        {
          "type": "Completeness",
          "value": 96.100
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.991
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      ]
    },
    {
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      "number_observations_unique": 60570,
      "quality_factors": [
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        {
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        {
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          "value": 96.600
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        {
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        {
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        {
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
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        {
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      "number_observations_unique": 40074,
      "quality_factors": [
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        {
          "type": "I/SigI",
          "value": 24.190
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        {
          "type": "Completeness",
          "value": 94.100
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        {
          "type": "Redundancy",
          "value": 5.286
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    },
    {
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        {
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        {
          "type": "I/SigI",
          "value": 27.980
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        {
          "type": "Completeness",
          "value": 93.400
        },
        {
          "type": "Redundancy",
          "value": 5.324
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        {
          "type": "CC(1/2)",
          "value": 0.997
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      ]
    },
    {
      "resolution_limits": [155.540,12.080],
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      "quality_factors": [
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        {
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          "value": 0.049
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        {
          "type": "I/SigI",
          "value": 32.030
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        {
          "type": "Completeness",
          "value": 92.900
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        {
          "type": "Redundancy",
          "value": 5.590
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        {
          "type": "CC(1/2)",
          "value": 0.996
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      ]
    }
  ]

}
  

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


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