Data quality metrics extracted from 8bz8.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": "a23d15f3ba956edce159dcc76e852501",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 87.397,
    "b": 292.381,
    "c": 93.075,
    "alpha": 90.000,
    "beta": 100.498,
    "gamma": 90.000
  },
  "wavelengths": [0.97942],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.28,2.52],
    "number_observations_unique": 154021,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(meas)",
        "value": 0.122
      },
      {
        "type": "R(pim)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.56,2.52],
      "number_observations_unique": 7618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.394
        },
        {
          "type": "R(meas)",
          "value": 1.503
        },
        {
          "type": "R(pim)",
          "value": 0.558
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.568
        }
      ]
    }
  ]

}
  

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


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