Data quality metrics extracted from 9waq.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": "20f6b5355b5f96d5626999b148160646",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.836,
    "b": 58.476,
    "c": 80.131,
    "alpha": 89.90,
    "beta": 89.84,
    "gamma": 62.92
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.76,1.97],
    "number_observations_unique": 57967,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 1.71
      },
      {
        "type": "Completeness",
        "value": 99.6005
      },
      {
        "type": "Redundancy",
        "value": 1.71
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.467,1.97],
      "number_observations_unique": 5555,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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