Data quality metrics extracted from 6gxk.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": "80f07f1b14c05b579fe909118cb9e999",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.308,
    "b": 49.037,
    "c": 83.659,
    "alpha": 73.74,
    "beta": 86.74,
    "gamma": 70.08
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.24,1.7],
    "number_observations_unique": 71030,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "R(meas)",
        "value": 0.065
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 13
      },
      {
        "type": "Completeness",
        "value": 95.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.7],
      "number_observations_unique": 10270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.588
        },
        {
          "type": "R(meas)",
          "value": 0.689
        },
        {
          "type": "R(pim)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    }
  ]

}
  

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


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