Data quality metrics extracted from 3b81.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": "db67d63bf1041179f4a9757a71f57edb",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
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    "b": 89.967,
    "c": 70.274,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97980,0.95370,0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
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    "number_observations_unique": 17429,
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      {
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        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 6.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.500
      }
    ]
  },
  "refln_shells": [
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      "quality_factors": [
        {
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        },
        {
          "type": "I/SigI",
          "value": 0.7
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          "type": "Completeness",
          "value": 100.00
        },
        {
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          "value": 6.80
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      ]
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      "number_observations_unique": 1208,
      "quality_factors": [
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          "type": "R(merge)",
          "value": 0.771
        },
        {
          "type": "I/SigI",
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        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
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        }
      ]
    },
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      ]
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        {
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          "type": "Completeness",
          "value": 100.00
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        {
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    {
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      "quality_factors": [
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        {
          "type": "I/SigI",
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          "type": "Completeness",
          "value": 100.00
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          "type": "Redundancy",
          "value": 6.70
        }
      ]
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    {
      "resolution_limits": [2.51,2.42],
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      "number_observations_unique": 1085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.320
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.51],
      "number_observations": 7104,
      "number_observations_unique": 1056,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 2.7
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.70
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      ]
    },
    {
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      "number_observations_unique": 1012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "I/SigI",
          "value": 3.3
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.50
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      ]
    },
    {
      "resolution_limits": [2.83,2.71],
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      "number_observations_unique": 989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 4.3
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.83],
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      "number_observations_unique": 936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [3.13,2.97],
      "number_observations": 5876,
      "number_observations_unique": 891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "I/SigI",
          "value": 6.9
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.60
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      ]
    },
    {
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        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 9.3
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.50
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      ]
    },
    {
      "resolution_limits": [3.55,3.32],
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      "number_observations_unique": 813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 9.2
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.30
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      ]
    },
    {
      "resolution_limits": [3.83,3.55],
      "number_observations": 4696,
      "number_observations_unique": 744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
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        {
          "type": "I/SigI",
          "value": 10.8
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.30
        }
      ]
    },
    {
      "resolution_limits": [4.20,3.83],
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      "number_observations_unique": 701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.10
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      ]
    },
    {
      "resolution_limits": [4.70,4.20],
      "number_observations": 3862,
      "number_observations_unique": 644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 12.0
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        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.00
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      ]
    },
    {
      "resolution_limits": [5.42,4.70],
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      "number_observations_unique": 575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 9.1
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        {
          "type": "Completeness",
          "value": 100.00
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        {
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          "value": 5.50
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    },
    {
      "resolution_limits": [6.64,5.42],
      "number_observations": 3002,
      "number_observations_unique": 494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
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        {
          "type": "I/SigI",
          "value": 8.8
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          "type": "Completeness",
          "value": 100.00
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        {
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          "value": 6.10
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      ]
    },
    {
      "resolution_limits": [9.39,6.64],
      "number_observations": 2414,
      "number_observations_unique": 390,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 18.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.20
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      ]
    },
    {
      "resolution_limits": [29.988,9.39],
      "number_observations": 1322,
      "number_observations_unique": 244,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 23.2
        },
        {
          "type": "Completeness",
          "value": 97.10
        },
        {
          "type": "Redundancy",
          "value": 5.40
        }
      ]
    }
  ]

}
  

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


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