Data quality metrics extracted from 6k0l.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": "d248c7fc3acdd452587dc2a28e5ab4b5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 28.623,
    "b": 33.465,
    "c": 46.726,
    "alpha": 71.02,
    "beta": 75.29,
    "gamma": 84.91
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.580],
    "number_observations_unique": 20604,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04000
      },
      {
        "type": "I/SigI",
        "value": 24.6000
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.58],
      "number_observations_unique": 2039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09600
        }
      ]
    }
  ]

}
  

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


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