Data quality metrics extracted from 4g96.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": "0c3e17b849c019a05c4541df99ff2ce4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.398,
    "b": 56.728,
    "c": 62.202,
    "alpha": 68.49,
    "beta": 88.16,
    "gamma": 73.40
  },
  "wavelengths": [1.48800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.4,2.25],
    "number_observations_unique": 29893,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.7
        }
      ]
    }
  ]

}
  

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


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