Data quality metrics extracted from 8tiy.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": "c5aa38e6ba5fbc3104a8ad9dbca95bd0",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 73.644,
    "b": 128.328,
    "c": 137.221,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.82,3.11],
    "number_observations_unique": 11893,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0734
      },
      {
        "type": "R(meas)",
        "value": 0.07933
      },
      {
        "type": "R(pim)",
        "value": 0.02972
      },
      {
        "type": "I/SigI",
        "value": 17.8
      },
      {
        "type": "Completeness",
        "value": 96.45
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.221,3.11],
      "number_observations_unique": 1168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9138
        },
        {
          "type": "R(meas)",
          "value": 0.9831
        },
        {
          "type": "R(pim)",
          "value": 0.3602
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 96.76
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.938
        }
      ]
    }
  ]

}
  

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


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