Data quality metrics extracted from 9s8z.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": "a56c9c22a44b462e1c2c9476b2bfb68e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 174.077,
    "b": 66.735,
    "c": 121.604,
    "alpha": 90.000,
    "beta": 121.954,
    "gamma": 90.000
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.02,2.35],
    "number_observations_unique": 97634,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 7
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.35],
      "number_observations_unique": 15318,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 2.193
        },
        {
          "type": "I/SigI",
          "value": 1
        },
        {
          "type": "CC(1/2)",
          "value": 0.413
        }
      ]
    }
  ]

}
  

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


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