Data quality metrics extracted from 9nq3.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "0ce89bcb8fa99ae1b3a708db76c72bac",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 82.192,
    "b": 101.333,
    "c": 134.982,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.2,2.5],
    "number_observations_unique": 47883,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.14
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 7
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.56,2.5],
      "number_observations_unique": 23530,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.785
        }
      ]
    }
  ]

}
  

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


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