Data quality metrics extracted from 9bz4.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": "dfd939f2da345a14a9774da7e5f6c6a2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.894,
    "b": 94.036,
    "c": 96.713,
    "alpha": 95.81,
    "beta": 111.10,
    "gamma": 108.51
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.52,2.44],
    "number_observations_unique": 75972,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.308
      },
      {
        "type": "R(meas)",
        "value": 0.340
      },
      {
        "type": "R(pim)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 10.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.45],
      "number_observations_unique": 10823,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.495
        },
        {
          "type": "R(meas)",
          "value": 1.728
        },
        {
          "type": "R(pim)",
          "value": 0.641
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.476
        }
      ]
    }
  ]

}
  

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


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