Data quality metrics extracted from 8ke3.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": "e1fe0e6ef57f674f2b99f8ac40c97a3d",
  "space_group_name": "P 64",
  "unit_cell": {
    "a": 104.670,
    "b": 104.670,
    "c": 71.813,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35,1.899801],
    "number_observations_unique": 34993,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.092
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 21.4
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [35,4.09],
      "number_observations_unique": 3518,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.09,3.25],
      "number_observations_unique": 3481,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.25,2.84],
      "number_observations_unique": 3491,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.58],
      "number_observations_unique": 3496,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "R(pim)",
          "value": 0.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.58,2.39],
      "number_observations_unique": 3510,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.189
        },
        {
          "type": "R(pim)",
          "value": 0.070
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.25],
      "number_observations_unique": 3497,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.254
        },
        {
          "type": "R(pim)",
          "value": 0.095
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.14],
      "number_observations_unique": 3499,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "R(pim)",
          "value": 0.131
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.05],
      "number_observations_unique": 3490,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.457
        },
        {
          "type": "R(pim)",
          "value": 0.171
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [2.05,1.97],
      "number_observations_unique": 3530,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "R(pim)",
          "value": 0.252
        },
        {
          "type": "CC(1/2)",
          "value": 0.851
        }
      ]
    },
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 3481,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.970
        },
        {
          "type": "R(pim)",
          "value": 0.371
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    }
  ]

}
  

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


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