Data quality metrics extracted from 4q0f.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": "3bd105cb501a684c1a834f3f4281cd88",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 42.032,
    "b": 66.125,
    "c": 72.033,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97924,0.97901,0.97134,0.98696],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.948],
    "number_observations_unique": 15191,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.98,1.95],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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