Data quality metrics extracted from 5wnt.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": "d54d116f2dbfb859c1f3774df46e0fba",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
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    "b": 400.0,
    "c": 173.0,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 290551,
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        "value": 0.525
      },
      {
        "type": "R(meas)",
        "value": 0.528
      },
      {
        "type": "I/SigI",
        "value": 14.940
      },
      {
        "type": "Completeness",
        "value": 96.100
      },
      {
        "type": "Redundancy",
        "value": 106.621
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
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          "value": 7.578
        },
        {
          "type": "R(meas)",
          "value": 7.611
        },
        {
          "type": "I/SigI",
          "value": 0.010
        },
        {
          "type": "Completeness",
          "value": 62.200
        },
        {
          "type": "Redundancy",
          "value": 81.450
        },
        {
          "type": "CC(1/2)",
          "value": 0.175
        }
      ]
    },
    {
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        },
        {
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          "value": 5.479
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        {
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        },
        {
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          "value": 92.700
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        {
          "type": "Redundancy",
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        {
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          "value": 0.402
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      ]
    },
    {
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          "value": 4.224
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        {
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        },
        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 114.312
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        {
          "type": "CC(1/2)",
          "value": 0.575
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      ]
    },
    {
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      "quality_factors": [
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          "value": 3.246
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        {
          "type": "R(meas)",
          "value": 3.262
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        {
          "type": "I/SigI",
          "value": 1.130
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        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 113.385
        },
        {
          "type": "CC(1/2)",
          "value": 0.681
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.260],
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      "number_observations_unique": 19736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.084
        },
        {
          "type": "R(meas)",
          "value": 2.094
        },
        {
          "type": "I/SigI",
          "value": 1.560
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        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 112.023
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        {
          "type": "CC(1/2)",
          "value": 0.729
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      ]
    },
    {
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        {
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        {
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        {
          "type": "I/SigI",
          "value": 1.880
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        {
          "type": "Completeness",
          "value": 99.600
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.791
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      ]
    },
    {
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      "quality_factors": [
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          "value": 1.163
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        {
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        {
          "type": "I/SigI",
          "value": 2.630
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        {
          "type": "Completeness",
          "value": 98.300
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        {
          "type": "Redundancy",
          "value": 103.356
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        {
          "type": "CC(1/2)",
          "value": 0.910
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      ]
    },
    {
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      "quality_factors": [
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          "type": "I/SigI",
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        {
          "type": "Completeness",
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        {
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        {
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      ]
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      "quality_factors": [
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        {
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        {
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          "value": 99.900
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        {
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        {
          "type": "CC(1/2)",
          "value": 0.973
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      ]
    },
    {
      "resolution_limits": [4.120,3.930],
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      "quality_factors": [
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        },
        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
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        {
          "type": "Completeness",
          "value": 99.800
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        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
          "value": 0.988
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      ]
    },
    {
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      "number_observations_unique": 15564,
      "quality_factors": [
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          "value": 0.345
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        {
          "type": "R(meas)",
          "value": 0.347
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        {
          "type": "I/SigI",
          "value": 12.340
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        {
          "type": "Completeness",
          "value": 99.900
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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": 14524,
      "quality_factors": [
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          "value": 0.271
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        {
          "type": "R(meas)",
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        {
          "type": "I/SigI",
          "value": 16.800
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        {
          "type": "Completeness",
          "value": 98.300
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        {
          "type": "Redundancy",
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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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        {
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        {
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        {
          "type": "I/SigI",
          "value": 28.430
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        {
          "type": "Completeness",
          "value": 99.900
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        {
          "type": "Redundancy",
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        {
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    {
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        {
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        {
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          "value": 40.470
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        {
          "type": "Completeness",
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        {
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      ]
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      "quality_factors": [
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        {
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        {
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        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
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        {
          "type": "CC(1/2)",
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      ]
    },
    {
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      "quality_factors": [
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          "value": 97.900
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          "type": "Redundancy",
          "value": 93.972
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      ]
    },
    {
      "resolution_limits": [13.030,9.210],
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        {
          "type": "Completeness",
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        {
          "type": "Redundancy",
          "value": 93.914
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        {
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      ]
    },
    {
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      "quality_factors": [
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          "value": 94.790
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        {
          "type": "Completeness",
          "value": 93.000
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        {
          "type": "Redundancy",
          "value": 87.421
        }
      ]
    }
  ]

}
  

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


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