Data quality metrics extracted from 7nzo.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": "d464fc0f29c3475f293751ddfb5f8de8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.77,
    "b": 86.91,
    "c": 54.03,
    "alpha": 90.00,
    "beta": 112.93,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.26,1.67],
    "number_observations_unique": 43436,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.4
      },
      {
        "type": "Completeness",
        "value": 92.2
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.70,1.67],
      "number_observations_unique": 1266,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    }
  ]

}
  

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


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