Data quality metrics extracted from 9zl9.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": "5069c4d1bb5bbb0e6375e08c8ba18a6a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 147.301,
    "b": 85.132,
    "c": 222.550,
    "alpha": 90.000,
    "beta": 89.984,
    "gamma": 90.000
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.75,2.60],
    "number_observations_unique": 84914,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.300
      },
      {
        "type": "R(pim)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.972
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.60],
      "number_observations_unique": 12453,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.210
        },
        {
          "type": "R(pim)",
          "value": 1.045
        },
        {
          "type": "CC(1/2)",
          "value": 0.514
        }
      ]
    }
  ]

}
  

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


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