Data quality metrics extracted from 6qad.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": "0c1a9d6a32f2ef815013d5fa82e944eb",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 155.269,
    "b": 155.269,
    "c": 129.922,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.641,2.497],
    "number_observations_unique": 25229,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09376
      },
      {
        "type": "R(meas)",
        "value": 0.1002
      },
      {
        "type": "R(pim)",
        "value": 0.03447
      },
      {
        "type": "I/SigI",
        "value": 15.41
      },
      {
        "type": "Completeness",
        "value": 90.69
      },
      {
        "type": "Redundancy",
        "value": 7.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.586,2.497],
      "number_observations_unique": 2718,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7896
        },
        {
          "type": "R(meas)",
          "value": 0.8462
        },
        {
          "type": "R(pim)",
          "value": 0.2974
        },
        {
          "type": "I/SigI",
          "value": 2.35
        },
        {
          "type": "Completeness",
          "value": 99.89
        },
        {
          "type": "Redundancy",
          "value": 7.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.813
        }
      ]
    }
  ]

}
  

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


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