Data quality metrics extracted from 6k6a.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": "4a57414cea8de1b64d43a862090211f9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.227,
    "b": 40.603,
    "c": 61.691,
    "alpha": 87.16,
    "beta": 75.20,
    "gamma": 65.50
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.9],
    "number_observations_unique": 21978,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 27.2
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0,1.9],
      "number_observations_unique": 1985,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.091
        }
      ]
    }
  ]

}
  

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


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