Data quality metrics extracted from 8izc.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": "cc16e5f740210f221d0173b61c293ab8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.999,
    "b": 48.950,
    "c": 82.052,
    "alpha": 95.75,
    "beta": 95.25,
    "gamma": 106.12
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.45],
    "number_observations_unique": 113119,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 23.000
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [14.62,1.45],
      "number_observations_unique": 112996,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    }
  ]

}
  

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


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