Data quality metrics extracted from 8iq7.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": "73de44d082bb6a9ecdc476614ee1b2d8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.668,
    "b": 69.509,
    "c": 110.800,
    "alpha": 77.86,
    "beta": 89.05,
    "gamma": 81.20
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.70,2.10],
    "number_observations_unique": 67168,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 7.90
      },
      {
        "type": "Completeness",
        "value": 85.9
      },
      {
        "type": "Redundancy",
        "value": 7.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.916
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.10],
      "number_observations_unique": 4847,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.481
        },
        {
          "type": "I/SigI",
          "value": 0.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.074
        }
      ]
    }
  ]

}
  

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


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