Data quality metrics extracted from 7lky.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": "00820dcd3855b313cf6b0b9dec916ec0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.394,
    "b": 45.345,
    "c": 64.442,
    "alpha": 90.02,
    "beta": 95.19,
    "gamma": 90.07
  },
  "wavelengths": [1.28000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.22,1.85],
    "number_observations_unique": 37960,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.85
      },
      {
        "type": "Completeness",
        "value": 90.87
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.92,1.85],
      "number_observations_unique": 2652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3336
        }
      ]
    }
  ]

}
  

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


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