Data quality metrics extracted from 6q1w.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": "db7097e717c190d198ed8e805832e043",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 38.136,
    "b": 38.136,
    "c": 104.497,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54060],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.42,1.4980],
    "number_observations_unique": 9110,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.158
      },
      {
        "type": "R(meas)",
        "value": 0.166
      },
      {
        "type": "R(pim)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 18.3
      },
      {
        "type": "Completeness",
        "value": 99.64
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.924
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.552,1.498],
      "number_observations_unique": 886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.251
        },
        {
          "type": "R(meas)",
          "value": 0.310
        },
        {
          "type": "R(pim)",
          "value": 0.178
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    }
  ]

}
  

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


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