Data quality metrics extracted from 8r6o.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": "186d2d3db1dad240f8c4ee1617811e28",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.327,
    "b": 158.182,
    "c": 182.681,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.2,2.2],
    "number_observations_unique": 287043,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09849
      },
      {
        "type": "R(meas)",
        "value": 0.1171
      },
      {
        "type": "R(pim)",
        "value": 0.06235
      },
      {
        "type": "I/SigI",
        "value": 10.56
      },
      {
        "type": "Completeness",
        "value": 99.27
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 14872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.133
        },
        {
          "type": "R(meas)",
          "value": 2.537
        },
        {
          "type": "R(pim)",
          "value": 1.354
        },
        {
          "type": "CC(1/2)",
          "value": 0.178
        }
      ]
    }
  ]

}
  

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


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