Data quality metrics extracted from 7jql.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": "e7425c5ea4581adc28e1af7280e5bdfa",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 449.88,
    "c": 621.27,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 1148853,
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        "value": 0.262
      },
      {
        "type": "R(meas)",
        "value": 0.293
      },
      {
        "type": "I/SigI",
        "value": 5.380
      },
      {
        "type": "Completeness",
        "value": 99.500
      },
      {
        "type": "Redundancy",
        "value": 5.078
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
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          "value": 1.518
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        {
          "type": "R(meas)",
          "value": 1.697
        },
        {
          "type": "I/SigI",
          "value": 1.010
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        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.178
        }
      ]
    },
    {
      "resolution_limits": [3.160,3.080],
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      "quality_factors": [
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          "value": 1.160
        },
        {
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          "value": 1.301
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        {
          "type": "I/SigI",
          "value": 1.310
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        {
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          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.927
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        {
          "type": "CC(1/2)",
          "value": 0.239
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      ]
    },
    {
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        {
          "type": "R(meas)",
          "value": 1.038
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        {
          "type": "I/SigI",
          "value": 1.600
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        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 4.580
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        {
          "type": "CC(1/2)",
          "value": 0.318
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      ]
    },
    {
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      "quality_factors": [
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          "value": 0.790
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        {
          "type": "R(meas)",
          "value": 0.884
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        {
          "type": "I/SigI",
          "value": 2.010
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        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 4.996
        },
        {
          "type": "CC(1/2)",
          "value": 0.442
        }
      ]
    },
    {
      "resolution_limits": [3.460,3.350],
      "number_observations": 402990,
      "number_observations_unique": 75733,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.719
        },
        {
          "type": "R(meas)",
          "value": 0.798
        },
        {
          "type": "I/SigI",
          "value": 2.340
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.321
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        {
          "type": "CC(1/2)",
          "value": 0.533
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      ]
    },
    {
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      "number_observations_unique": 73300,
      "quality_factors": [
        {
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          "value": 0.623
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        {
          "type": "R(meas)",
          "value": 0.692
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        {
          "type": "I/SigI",
          "value": 2.740
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 5.327
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        {
          "type": "CC(1/2)",
          "value": 0.607
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      ]
    },
    {
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      "number_observations_unique": 70808,
      "quality_factors": [
        {
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          "value": 0.513
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        {
          "type": "R(meas)",
          "value": 0.571
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        {
          "type": "I/SigI",
          "value": 3.340
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        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.265
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        {
          "type": "CC(1/2)",
          "value": 0.698
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      ]
    },
    {
      "resolution_limits": [3.870,3.720],
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      "number_observations_unique": 68062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
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        {
          "type": "R(meas)",
          "value": 0.481
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        {
          "type": "I/SigI",
          "value": 3.980
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        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.150
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        {
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          "value": 0.766
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      ]
    },
    {
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      "quality_factors": [
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        {
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          "value": 0.412
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
          "value": 5.214
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        {
          "type": "CC(1/2)",
          "value": 0.821
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      ]
    },
    {
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      "number_observations_unique": 62544,
      "quality_factors": [
        {
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        {
          "type": "R(meas)",
          "value": 0.359
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        {
          "type": "I/SigI",
          "value": 5.450
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.858
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      ]
    },
    {
      "resolution_limits": [4.470,4.240],
      "number_observations": 300003,
      "number_observations_unique": 59353,
      "quality_factors": [
        {
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          "value": 0.275
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        {
          "type": "R(meas)",
          "value": 0.308
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        {
          "type": "I/SigI",
          "value": 6.340
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        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.055
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        {
          "type": "CC(1/2)",
          "value": 0.891
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      ]
    },
    {
      "resolution_limits": [4.740,4.470],
      "number_observations": 263242,
      "number_observations_unique": 56084,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.234
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        {
          "type": "R(meas)",
          "value": 0.264
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        {
          "type": "I/SigI",
          "value": 7.100
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        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 4.694
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        {
          "type": "CC(1/2)",
          "value": 0.910
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      ]
    },
    {
      "resolution_limits": [5.070,4.740],
      "number_observations": 258549,
      "number_observations_unique": 52250,
      "quality_factors": [
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          "value": 0.211
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        {
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          "value": 0.237
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        {
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        {
          "type": "Completeness",
          "value": 98.400
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        {
          "type": "Redundancy",
          "value": 4.948
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        {
          "type": "CC(1/2)",
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    {
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      "number_observations": 263843,
      "number_observations_unique": 49367,
      "quality_factors": [
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        {
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          "value": 0.212
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        {
          "type": "I/SigI",
          "value": 9.450
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        {
          "type": "Completeness",
          "value": 99.600
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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": 45461,
      "quality_factors": [
        {
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          "value": 0.171
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        {
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        {
          "type": "I/SigI",
          "value": 10.150
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        {
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          "value": 99.600
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        {
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      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 10.480
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        {
          "type": "Completeness",
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        {
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      "quality_factors": [
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        {
          "type": "I/SigI",
          "value": 12.380
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        {
          "type": "Completeness",
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        {
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        {
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    {
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      "number_observations_unique": 30485,
      "quality_factors": [
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          "value": 0.092
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        {
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          "value": 0.104
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        {
          "type": "I/SigI",
          "value": 14.200
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        {
          "type": "Completeness",
          "value": 98.100
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        {
          "type": "Redundancy",
          "value": 4.691
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        {
          "type": "CC(1/2)",
          "value": 0.987
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      ]
    },
    {
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      "number_observations_unique": 23880,
      "quality_factors": [
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        {
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          "value": 0.073
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        {
          "type": "I/SigI",
          "value": 18.700
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 5.244
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "quality_factors": [
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        {
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          "value": 0.053
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        {
          "type": "I/SigI",
          "value": 20.870
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        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 5.088
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        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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