Data quality metrics extracted from 4cc0.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": "78d63a480be9b24b7e2082ae4bdf1f7b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.98,
    "b": 60.25,
    "c": 62.65,
    "alpha": 92.59,
    "beta": 104.44,
    "gamma": 106.67
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.19,2.32],
    "number_observations_unique": 31717,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 4.30
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 1.77
      }
    ]
  }
}
  

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


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