Data quality metrics extracted from 6nfj.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": "5d957469ffd5b81bd312b24c440179d3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 130.09,
    "b": 143.90,
    "c": 141.05,
    "alpha": 90.0,
    "beta": 90.9,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.42,3.19],
    "number_observations_unique": 42869,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.40
      },
      {
        "type": "Completeness",
        "value": 99.23
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.31,3.20],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.81
        },
        {
          "type": "Completeness",
          "value": 95.87
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.519
        }
      ]
    }
  ]

}
  

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


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