Data quality metrics extracted from 6xk6.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": "2458ca73d1e1ae9e44a927838c33f947",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 80.16,
    "b": 94.33,
    "c": 61.95,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.53,1.84],
    "number_observations_unique": 41333,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03991
      },
      {
        "type": "R(meas)",
        "value": 0.05645
      },
      {
        "type": "R(pim)",
        "value": 0.03991
      },
      {
        "type": "I/SigI",
        "value": 8.26
      },
      {
        "type": "Completeness",
        "value": 99.27
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.906,1.84],
      "number_observations_unique": 4082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3732
        },
        {
          "type": "R(meas)",
          "value": 0.5278
        },
        {
          "type": "R(pim)",
          "value": 0.3732
        },
        {
          "type": "I/SigI",
          "value": 1.24
        },
        {
          "type": "CC(1/2)",
          "value": 0.809
        }
      ]
    }
  ]

}
  

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


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