Data quality metrics extracted from 8pkb.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "90b70c8abfcf8608da2544fc068f5cb0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.548,
    "b": 84.040,
    "c": 103.344,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44,1.90],
    "number_observations_unique": 50721,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2088
      },
      {
        "type": "R(meas)",
        "value": 0.229
      },
      {
        "type": "R(pim)",
        "value": 0.09284
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 99.82
      },
      {
        "type": "Redundancy",
        "value": 5.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [44,3.79],
      "number_observations_unique": 3624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.352
        },
        {
          "type": "I/SigI",
          "value": 20.0
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 5.49
        }
      ]
    },
    {
      "resolution_limits": [3.79,3.01],
      "number_observations_unique": 3458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "R(meas)",
          "value": 0.472
        },
        {
          "type": "I/SigI",
          "value": 9.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.93
        }
      ]
    },
    {
      "resolution_limits": [3.01,2.63],
      "number_observations_unique": 3415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "R(meas)",
          "value": 0.638
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
        "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.17
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.39],
      "number_observations_unique": 3391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        },
        {
          "type": "R(meas)",
          "value": 0.724
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 5.82
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.22],
      "number_observations_unique": 3390,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.582
        },
        {
          "type": "R(meas)",
          "value": 1.045
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 5.74
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.09],
      "number_observations_unique": 3387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "R(meas)",
          "value": 2.278
        },
        {
          "type": "I/SigI",
          "value": 2.01
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 5.93
        }
      ]
    },
    {
      "resolution_limits": [2.09,1.98],
      "number_observations_unique": 3351,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.954
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 99.97
        },
        {
          "type": "Redundancy",
          "value": 6.08
        }
      ]
    },
    {
      "resolution_limits": [1.98,1.90],
      "number_observations_unique": 3343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.165
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 6.14
        }
      ]
    }
  ]

}
  

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


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