Data quality metrics extracted from 9g4o.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": "c1846d4babd297a1c777e389b32479fb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.155,
    "b": 45.702,
    "c": 48.440,
    "alpha": 113.30,
    "beta": 99.54,
    "gamma": 95.01
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.411,1.545],
    "number_observations_unique": 21968,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 79.8
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.934
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.810,1.545],
      "number_observations_unique": 1098,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.547
        }
      ]
    }
  ]

}
  

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


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