Data quality metrics extracted from 8fz4.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": "0aa8210736b3c1f2a310532e1a8b841f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 78.244,
    "b": 88.969,
    "c": 59.779,
    "alpha": 90.00,
    "beta": 128.13,
    "gamma": 90.00
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.08,2.19],
    "number_observations_unique": 16416,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08972
      },
      {
        "type": "R(meas)",
        "value": 0.09702
      },
      {
        "type": "R(pim)",
        "value": 0.0365
      },
      {
        "type": "I/SigI",
        "value": 10.80
      },
      {
        "type": "Completeness",
        "value": 98.56
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.268,2.19],
      "number_observations_unique": 1620,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8622
        },
        {
          "type": "R(meas)",
          "value": 0.9318
        },
        {
          "type": "R(pim)",
          "value": 0.3496
        },
        {
          "type": "I/SigI",
          "value": 2.38
        },
        {
          "type": "Completeness",
          "value": 98.96
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.849
        }
      ]
    }
  ]

}
  

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


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