Data quality metrics extracted from 6lks.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": "147a240b6741c1ecf2691586f92136a0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 215.71,
    "b": 124.27,
    "c": 214.53,
    "alpha": 90.000,
    "beta": 102.909,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.75,3.24],
    "number_observations_unique": 172506,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.2875
      },
      {
        "type": "R(pim)",
        "value": 0.07844
      },
      {
        "type": "I/SigI",
        "value": 7.73
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.356,3.24],
      "number_observations_unique": 8830,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.728
        },
        {
          "type": "R(pim)",
          "value": 0.2064
        },
        {
          "type": "I/SigI",
          "value": 3.23
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "CC(1/2)",
          "value": 0.92
        }
      ]
    }
  ]

}
  

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


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