Data quality metrics extracted from 8qtw.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": "81b37ae5b7942752c0fab921d7760cd3",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 154.231,
    "b": 154.231,
    "c": 127.979,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.88560],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.19,2.24],
    "number_observations_unique": 36701,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05438
      },
      {
        "type": "R(meas)",
        "value": 0.05833
      },
      {
        "type": "R(pim)",
        "value": 0.02057
      },
      {
        "type": "I/SigI",
        "value": 19.79
      },
      {
        "type": "Completeness",
        "value": 98.50
      },
      {
        "type": "Redundancy",
        "value": 7.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.24],
      "number_observations_unique": 3644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6859
        },
        {
          "type": "R(meas)",
          "value": 0.7359
        },
        {
          "type": "R(pim)",
          "value": 0.2606
        },
        {
          "type": "I/SigI",
          "value": 2.47
        },
        {
          "type": "Completeness",
          "value": 99.21
        },
        {
          "type": "Redundancy",
          "value": 7.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.887
        }
      ]
    }
  ]

}
  

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


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