Data quality metrics extracted from 7kfl.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": "6834ded4f2693dcb79f0059f0b186982",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 147.062,
    "b": 54.333,
    "c": 113.432,
    "alpha": 90.0,
    "beta": 96.6,
    "gamma": 90.0
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.36,2.35],
    "number_observations_unique": 37294,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1264
      },
      {
        "type": "I/SigI",
        "value": 7.08
      },
      {
        "type": "Completeness",
        "value": 99.29
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.434,2.35],
      "number_observations_unique": 3671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.368
        },
        {
          "type": "CC(1/2)",
          "value": 0.456
        }
      ]
    }
  ]

}
  

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


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