Data quality metrics extracted from 2h6k.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": "b42a8c3b5caba3757b3ce2a478d84d80",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 133.473,
    "b": 46.521,
    "c": 112.110,
    "alpha": 90.00,
    "beta": 116.86,
    "gamma": 90.00
  },
  "wavelengths": [0.98720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.300,1.90],
    "number_observations_unique": 47173,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 16.2
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.90],
      "number_observations_unique": 4525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "I/SigI",
          "value": 3.82
        },
        {
          "type": "Completeness",
          "value": 92.9
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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