Data quality metrics extracted from 1kc5.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": "e6bddf10c6d75e5c46f6e6b03f0dc2c8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 73.590,
    "b": 71.588,
    "c": 87.677,
    "alpha": 90.00,
    "beta": 98.09,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.5],
    "number_observations_unique": 13521,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 5.5
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  }
}
  

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


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