Data quality metrics extracted from 8v96.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": "0d1bdb711bf31ef38999e3fb23a37958",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 105.818,
    "b": 91.835,
    "c": 67.106,
    "alpha": 90.00,
    "beta": 92.98,
    "gamma": 90.00
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.02,1.44],
    "number_observations": 381270,
    "number_observations_unique": 113736,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "R(pim)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.46,1.44],
      "number_observations": 17145,
      "number_observations_unique": 5241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.939
        },
        {
          "type": "R(meas)",
          "value": 2.302
        },
        {
          "type": "R(pim)",
          "value": 1.228
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.163
        }
      ]
    }
  ]

}
  

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


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