Data quality metrics extracted from 8q1s.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": "e487da1b0cd2da551220ce80b5a11339",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 123.78,
    "b": 123.78,
    "c": 250.20,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.7,3.23],
    "number_observations_unique": 22972,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 6.91
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 10.39
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.42,3.23],
      "number_observations_unique": 3708,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.296
        },
        {
          "type": "CC(1/2)",
          "value": 0.368
        }
      ]
    }
  ]

}
  

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


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