Data quality metrics extracted from 4p6g.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": "4ef8e92754e262e0d6b4db2de00fec38",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.253,
    "b": 67.311,
    "c": 67.778,
    "alpha": 100.90,
    "beta": 94.86,
    "gamma": 117.99
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.21,1.58],
    "number_observations_unique": 138388,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.1
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 2
      }
    ]
  }
}
  

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


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