Data quality metrics extracted from 7q9u.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": "fc616e37df0449ee1d31326971727a5a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.086,
    "b": 57.925,
    "c": 78.913,
    "alpha": 82.771,
    "beta": 81.709,
    "gamma": 68.447
  },
  "wavelengths": [0.97628],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.706,2.238],
    "number_observations_unique": 37781,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.24],
      "number_observations_unique": 2327,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    }
  ]

}
  

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


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