Data quality metrics extracted from 9czt.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": "d83c6ce557d212f2d2cdd17393db4c9b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.45,
    "b": 58.03,
    "c": 61.97,
    "alpha": 86.61,
    "beta": 86.34,
    "gamma": 67.23
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.80,1.69],
    "number_observations_unique": 72379,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.0
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.69],
      "number_observations_unique": 10573,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    }
  ]

}
  

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


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