Data quality metrics extracted from 8qq7.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": "c7ea6588577bc3e5826edf76b9716e4a",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 145.967,
    "b": 145.967,
    "c": 153.619,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.82,3.62],
    "number_observations_unique": 5508,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "R(pim)",
        "value": 0.017
      },
      {
        "type": "I/SigI",
        "value": 19.6
      },
      {
        "type": "Completeness",
        "value": 90.9
      },
      {
        "type": "Redundancy",
        "value": 20
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.95,3.62],
      "number_observations_unique": 275,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2
        },
        {
          "type": "R(pim)",
          "value": 0.465
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 85.4
        },
        {
          "type": "Redundancy",
          "value": 20
        }
      ]
    }
  ]

}
  

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


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