Data quality metrics extracted from 7jq3.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": "d8c7609f9a98130f0be15dc32531362f",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 45.240,
    "b": 53.760,
    "c": 113.822,
    "alpha": 90.00,
    "beta": 101.13,
    "gamma": 90.00
  },
  "wavelengths": [1.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.44,2.10],
    "number_observations_unique": 15795,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.10],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.633
        }
      ]
    }
  ]

}
  

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


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