Data quality metrics extracted from 8fo5.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": "ef1cd60bb7e456115d8ad00c3b5ebfdf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.674,
    "b": 63.568,
    "c": 87.242,
    "alpha": 84.39,
    "beta": 85.51,
    "gamma": 80.09
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.69,1.89],
    "number_observations_unique": 74530,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.89],
      "number_observations_unique": 9836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.437
        },
        {
          "type": "R(pim)",
          "value": 0.275
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    }
  ]

}
  

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


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