Data quality metrics extracted from 5lfq.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": "a8685d313869dfeed93b2878772dffa8",
  "space_group_name": "P 3",
  "unit_cell": {
    "a": 100.854,
    "b": 100.854,
    "c": 207.433,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.35,3.500],
    "number_observations_unique": 47926,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0886
      },
      {
        "type": "I/SigI",
        "value": 8.600
      },
      {
        "type": "Completeness",
        "value": 81.44
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.549,3.500],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 1.41
        },
        {
          "type": "Completeness",
          "value": 78
        },
        {
          "type": "Redundancy",
          "value": 2.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    }
  ]

}
  

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


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