Data quality metrics extracted from 8v9v.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": "2943e1033a5d7a1c1caff79fc984d49c",
  "space_group_name": "I 21 21 21",
  "unit_cell": {
    "a": 28.302,
    "b": 104.117,
    "c": 131.520,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.82,2.29],
    "number_observations_unique": 9217,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06604
      },
      {
        "type": "R(meas)",
        "value": 0.09339
      },
      {
        "type": "R(pim)",
        "value": 0.06604
      },
      {
        "type": "I/SigI",
        "value": 9.69
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.372,2.29],
      "number_observations_unique": 904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.687
        },
        {
          "type": "I/SigI",
          "value": 1.03
        },
        {
          "type": "CC(1/2)",
          "value": 0.515
        }
      ]
    }
  ]

}
  

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


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