Data quality metrics extracted from 4kyo.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": "28ddc73aaa093c1d097375e05ead84e8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.556,
    "b": 74.830,
    "c": 91.751,
    "alpha": 87.23,
    "beta": 83.41,
    "gamma": 89.83
  },
  "wavelengths": [0.81200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.03,2.2],
    "number_observations_unique": 73170,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "Redundancy",
        "value": 2.6
      }
    ]
  }
}
  

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


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