Data quality metrics extracted from 8ciy.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": "461ef42b87be2e4c9e777277d3d9840b",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 83.907,
    "b": 150.723,
    "c": 71.502,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.98,1.54],
    "number_observations": 901633,
    "number_observations_unique": 67324,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "R(pim)",
        "value": 0.017
      },
      {
        "type": "I/SigI",
        "value": 21.4
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.62,1.54],
      "number_observations": 123025,
      "number_observations_unique": 9751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.918
        },
        {
          "type": "R(meas)",
          "value": 0.957
        },
        {
          "type": "R(pim)",
          "value": 0.268
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Redundancy",
          "value": 12.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    }
  ]

}
  

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


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