Data quality metrics extracted from 5lkf.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": "91d69814fc11700d9c164ff71d414d30",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 52.757,
    "b": 52.757,
    "c": 110.446,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.71070],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [7.360,2.500],
    "number_observations": 135275,
    "number_observations_unique": 5846,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.480
      },
      {
        "type": "R(meas)",
        "value": 0.0858
      },
      {
        "type": "R(pim)",
        "value": 0.167
      },
      {
        "type": "I/SigI",
        "value": 7.600
      },
      {
        "type": "Completeness",
        "value": 91.000
      },
      {
        "type": "Redundancy",
        "value": 23.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.966
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.650,2.500],
      "number_observations": 23687,
      "number_observations_unique": 954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6174
        },
        {
          "type": "R(meas)",
          "value": 0.6302
        },
        {
          "type": "R(pim)",
          "value": 1.214
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 93.300
        },
        {
          "type": "Redundancy",
          "value": 24.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.381
        }
      ]
    }
  ]

}
  

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


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