Data quality metrics extracted from 10px.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.3",
  "uuid": "974f94e78ee109a543d02dff185d2143",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 446.66,
    "c": 615.32,
    "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": 2068541,
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        "type": "R(merge)",
        "value": 0.282
      },
      {
        "type": "R(meas)",
        "value": 0.301
      },
      {
        "type": "I/SigI",
        "value": 6.550
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 8.487
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
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      "number_observations_unique": 152287,
      "quality_factors": [
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          "value": 2.546
        },
        {
          "type": "R(meas)",
          "value": 2.738
        },
        {
          "type": "I/SigI",
          "value": 0.850
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.314
        },
        {
          "type": "CC(1/2)",
          "value": 0.138
        }
      ]
    },
    {
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      "number_observations": 1256298,
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      "quality_factors": [
        {
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          "value": 2.127
        },
        {
          "type": "R(meas)",
          "value": 2.265
        },
        {
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          "value": 1.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 8.466
        },
        {
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          "value": 0.200
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      ]
    },
    {
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      "number_observations_unique": 144509,
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          "value": 1.741
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        {
          "type": "R(meas)",
          "value": 1.851
        },
        {
          "type": "I/SigI",
          "value": 1.370
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.812
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        {
          "type": "CC(1/2)",
          "value": 0.291
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      ]
    },
    {
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      "number_observations_unique": 140522,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 1.380
        },
        {
          "type": "R(meas)",
          "value": 1.467
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.821
        },
        {
          "type": "CC(1/2)",
          "value": 0.385
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.740],
      "number_observations": 1196878,
      "number_observations_unique": 136008,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.106
        },
        {
          "type": "R(meas)",
          "value": 1.175
        },
        {
          "type": "I/SigI",
          "value": 2.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.529
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      ]
    },
    {
      "resolution_limits": [2.930,2.830],
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      "number_observations_unique": 131781,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.824
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        {
          "type": "R(meas)",
          "value": 0.877
        },
        {
          "type": "I/SigI",
          "value": 2.820
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.661
        },
        {
          "type": "CC(1/2)",
          "value": 0.660
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      ]
    },
    {
      "resolution_limits": [3.040,2.930],
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      "number_observations_unique": 127133,
      "quality_factors": [
        {
          "type": "R(merge)",
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        {
          "type": "R(meas)",
          "value": 0.630
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        {
          "type": "I/SigI",
          "value": 3.810
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.331
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        {
          "type": "CC(1/2)",
          "value": 0.806
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      ]
    },
    {
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      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.426
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        {
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          "value": 0.454
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        {
          "type": "I/SigI",
          "value": 5.350
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.554
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        {
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          "value": 0.861
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      ]
    },
    {
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        {
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        {
          "type": "I/SigI",
          "value": 6.760
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
          "value": 8.298
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        {
          "type": "CC(1/2)",
          "value": 0.904
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      ]
    },
    {
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      "number_observations_unique": 112330,
      "quality_factors": [
        {
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        {
          "type": "R(meas)",
          "value": 0.305
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        {
          "type": "I/SigI",
          "value": 8.150
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.926
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      ]
    },
    {
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      "number_observations_unique": 106940,
      "quality_factors": [
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          "value": 0.249
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        {
          "type": "R(meas)",
          "value": 0.265
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        {
          "type": "I/SigI",
          "value": 9.320
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.910
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        {
          "type": "CC(1/2)",
          "value": 0.945
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      ]
    },
    {
      "resolution_limits": [3.870,3.650],
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      "quality_factors": [
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        {
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          "value": 0.227
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        {
          "type": "I/SigI",
          "value": 10.670
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        {
          "type": "Completeness",
          "value": 100.000
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        {
          "type": "Redundancy",
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        {
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          "value": 0.956
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      ]
    },
    {
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      "number_observations_unique": 95164,
      "quality_factors": [
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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    {
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        {
          "type": "I/SigI",
          "value": 12.290
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 7.987
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        {
          "type": "CC(1/2)",
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    {
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        {
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        {
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        {
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        {
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        {
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    },
    {
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      "number_observations_unique": 55512,
      "quality_factors": [
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        {
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        {
          "type": "I/SigI",
          "value": 14.720
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 8.503
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        {
          "type": "CC(1/2)",
          "value": 0.990
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      ]
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    {
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        {
          "type": "I/SigI",
          "value": 15.580
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        {
          "type": "Completeness",
          "value": 99.500
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        {
          "type": "Redundancy",
          "value": 7.864
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          "type": "CC(1/2)",
          "value": 0.991
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      ]
    },
    {
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        {
          "type": "I/SigI",
          "value": 18.160
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        {
          "type": "Completeness",
          "value": 98.600
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        {
          "type": "Redundancy",
          "value": 8.712
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      ]
    }
  ]

}
  

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


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