Data quality metrics extracted from 8f98.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": "9d154eb0174e37203f47e2e53d5ce105",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 101.762,
    "b": 101.762,
    "c": 321.897,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.51,2.70],
    "number_observations": 916607,
    "number_observations_unique": 51597,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "R(meas)",
        "value": 0.146
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 17.5
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 17.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.70],
      "number_observations": 81334,
      "number_observations_unique": 4479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.513
        },
        {
          "type": "R(meas)",
          "value": 1.556
        },
        {
          "type": "R(pim)",
          "value": 0.365
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Redundancy",
          "value": 18.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    }
  ]

}
  

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


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