Data quality metrics extracted from 9i4b.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": "d435185a99b88dde8d220c58bae6f8de",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.833,
    "b": 72.626,
    "c": 87.781,
    "alpha": 104.38,
    "beta": 93.15,
    "gamma": 96.56
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.12,2.68],
    "number_observations_unique": 27165,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.2
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 5.1
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.68],
      "number_observations_unique": 1277,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.5
        }
      ]
    }
  ]

}
  

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


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