Data quality metrics extracted from 9pu8.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": "09c345446c25f27c56650ee2300dcd3d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 63.998,
    "b": 37.343,
    "c": 63.296,
    "alpha": 90.00,
    "beta": 90.61,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.25,1.4],
    "number_observations_unique": 29235,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05835
      },
      {
        "type": "R(meas)",
        "value": 0.06782
      },
      {
        "type": "I/SigI",
        "value": 13.35
      },
      {
        "type": "Completeness",
        "value": 98.45
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.4],
      "number_observations_unique": 2858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1806
        },
        {
          "type": "R(meas)",
          "value": 0.2167
        },
        {
          "type": "I/SigI",
          "value": 6.58
        },
        {
          "type": "Completeness",
          "value": 97.11
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    }
  ]

}
  

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


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