Data quality metrics extracted from 9qkx.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": "fcacb481cebb4a7df8f924c9a5b9732c",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 59.80,
    "b": 59.80,
    "c": 120.69,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.59,2.30],
    "number_observations_unique": 11469,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.4688
      },
      {
        "type": "I/SigI",
        "value": 8.24
      },
      {
        "type": "Completeness",
        "value": 98.65
      },
      {
        "type": "Redundancy",
        "value": 19.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.53,2.3],
      "number_observations_unique": 2772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.873
        },
        {
          "type": "CC(1/2)",
          "value": 0.404
        }
      ]
    }
  ]

}
  

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


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