Data quality metrics extracted from 9q6a.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": "160568602a0a94a2da8572627f0126c0",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 91.343,
    "b": 96.013,
    "c": 115.614,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.7,2.58],
    "number_observations_unique": 16103,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.66,2.58],
      "number_observations_unique": 1127,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    }
  ]

}
  

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


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