Data quality metrics extracted from 6n8r.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": "40b6b52c41982384c2032b3466ef8d0b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 173.570,
    "b": 46.562,
    "c": 137.228,
    "alpha": 90.00,
    "beta": 115.84,
    "gamma": 90.00
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.050,1.910],
    "number_observations": 429153,
    "number_observations_unique": 66987,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.121
      },
      {
        "type": "R(pim)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 7.900
      },
      {
        "type": "Completeness",
        "value": 86.900
      },
      {
        "type": "Redundancy",
        "value": 6.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.950,1.910],
      "number_observations_unique": 2420,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 10.548
        },
        {
          "type": "R(meas)",
          "value": 11.922
        },
        {
          "type": "R(pim)",
          "value": 5.476
        },
        {
          "type": "Completeness",
          "value": 47.100
        },
        {
          "type": "Redundancy",
          "value": 4.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.117
        }
      ]
    }
  ]

}
  

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


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