Data quality metrics extracted from 1k6z.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": "2b5f6e5e88ef9f694442e429a1d40281",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.879,
    "b": 56.038,
    "c": 54.993,
    "alpha": 90.00,
    "beta": 114.04,
    "gamma": 90.00
  },
  "wavelengths": [0.97960,0.97950,0.94000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.0,2.0],
    "number_observations_unique": 16201,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0400000
      },
      {
        "type": "I/SigI",
        "value": 16.65
      },
      {
        "type": "Completeness",
        "value": 82.0
      },
      {
        "type": "Redundancy",
        "value": 1.92
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "number_observations_unique": 1372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2700000
        },
        {
          "type": "I/SigI",
          "value": 3.6
        },
        {
          "type": "Completeness",
          "value": 99
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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