Data quality metrics extracted from 6ljk.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": "cd4298a75a55674b8afce6e9991b124b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 33.997,
    "b": 72.754,
    "c": 55.876,
    "alpha": 90.00,
    "beta": 97.06,
    "gamma": 90.00
  },
  "wavelengths": [0.97890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.102,1.39],
    "number_observations_unique": 47791,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 17.24
      },
      {
        "type": "Completeness",
        "value": 88.84
      },
      {
        "type": "Redundancy",
        "value": 4.02
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.48,1.39],
      "number_observations_unique": 7194,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    }
  ]

}
  

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


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