Data quality metrics extracted from 7lfk.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": "496135a93e75c8be3aca361ce1bdcc30",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.43,
    "b": 69.10,
    "c": 54.80,
    "alpha": 102.537,
    "beta": 93.860,
    "gamma": 114.100
  },
  "wavelengths": [0.90800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.7,1.60],
    "number_observations_unique": 93324,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 86.7
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.60],
      "number_observations_unique": 5139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.314
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 68.0
        }
      ]
    }
  ]

}
  

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


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