Data quality metrics extracted from 5lkq.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": "cc0f232d1ea18dcb263c2719d1d310d6",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 88.457,
    "b": 88.457,
    "c": 127.506,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.00,2.50],
    "number_observations_unique": 12915,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.192
      },
      {
        "type": "R(meas)",
        "value": 0.236
      },
      {
        "type": "R(pim)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.60,2.50],
      "number_observations": 8172,
      "number_observations_unique": 1452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.26
        },
        {
          "type": "R(meas)",
          "value": 2.783
        },
        {
          "type": "R(pim)",
          "value": 1.597
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 5.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.390
        }
      ]
    }
  ]

}
  

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


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