Data quality metrics extracted from 8p6u.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": "5a59aea47b55807805c2527cc1036428",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.85,
    "b": 41.28,
    "c": 71.72,
    "alpha": 90.0,
    "beta": 104.1,
    "gamma": 90.0
  },
  "wavelengths": [1.54100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25,1.3],
    "number_observations_unique": 56391,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 8.46
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.33,1.30],
      "number_observations_unique": 4094,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.20
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.93
        }
      ]
    }
  ]

}
  

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


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