Data quality metrics extracted from 9q4l.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": "4d3e084ede453d5a1f71a07c4a7bcc3d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.98,
    "b": 98.48,
    "c": 69.81,
    "alpha": 90.00,
    "beta": 98.86,
    "gamma": 90.00
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.9,2.6],
    "number_observations_unique": 26812,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.72,2.60],
      "number_observations_unique": 3257,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.316
        }
      ]
    }
  ]

}
  

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


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