Data quality metrics extracted from 9n2s.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": "6dc61a33f30b370b6ea3e034e1310976",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.552,
    "b": 67.360,
    "c": 70.927,
    "alpha": 106.58,
    "beta": 100.73,
    "gamma": 106.78
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.91,3.3],
    "number_observations_unique": 11878,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.77
      },
      {
        "type": "Completeness",
        "value": 89.9
      },
      {
        "type": "Redundancy",
        "value": 2.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.966
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.36,3.3],
      "number_observations_unique": 534,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.89
        }
      ]
    }
  ]

}
  

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


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