Data quality metrics extracted from 6z86.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": "491275db308c21b33bfdcc19bb7cc6c1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 87.861,
    "b": 88.595,
    "c": 163.567,
    "alpha": 85.22,
    "beta": 88.91,
    "gamma": 83.55
  },
  "wavelengths": [0.99988],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.739,2.206],
    "number_observations_unique": 142765,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 89.7
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.457,2.206],
      "number_observations_unique": 7139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.337
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 62.4
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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