Data quality metrics extracted from 6xzw.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": "7375baa14cb8bc2f995c1081a22f0a2e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.34,
    "b": 90.40,
    "c": 97.94,
    "alpha": 90.000,
    "beta": 98.819,
    "gamma": 90.000
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.78,2.40],
    "number_observations_unique": 29802,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.5
      },
      {
        "type": "Completeness",
        "value": 93
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.40],
      "number_observations_unique": 3202,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.82
        }
      ]
    }
  ]

}
  

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


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