Data quality metrics extracted from 6kw1.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": "16f722b95daa62c592bd32400af81d3c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 103.759,
    "b": 79.421,
    "c": 67.981,
    "alpha": 90.000,
    "beta": 130.938,
    "gamma": 90.000
  },
  "wavelengths": [0.97852],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.1907632483,1.775],
    "number_observations_unique": 39958,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 6.38
      },
      {
        "type": "Completeness",
        "value": 99.13
      },
      {
        "type": "Redundancy",
        "value": 10
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.839,1.775],
      "number_observations_unique": 39958,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "Completeness",
          "value": 99.13
        }
      ]
    }
  ]

}
  

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


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