Data quality metrics extracted from 9qmk.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "280286acc810683c933dc33b365f953b",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 148.671,
    "b": 170.517,
    "c": 75.305,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92272],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.44,2.05],
    "number_observations_unique": 60296,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.118
      },
      {
        "type": "R(meas)",
        "value": 0.124
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.05],
      "number_observations_unique": 4392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.012
        },
        {
          "type": "R(meas)",
          "value": 1.060
        },
        {
          "type": "R(pim)",
          "value": 0.314
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    }
  ]

}
  

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


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