Data quality metrics extracted from 6h9s.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": "8d6a623ff246961d932ae1b95445d33c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 91.268,
    "b": 103.739,
    "c": 90.700,
    "alpha": 90.00,
    "beta": 107.25,
    "gamma": 90.00
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.51,1.90],
    "number_observations_unique": 62820,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.027
      },
      {
        "type": "R(meas)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 2.3
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.9],
      "number_observations_unique": 6301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    }
  ]

}
  

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


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