Data quality metrics extracted from 6zi2.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": "05c4d2824d00e1d814e2d6e0de196fca",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 112.066,
    "b": 116.642,
    "c": 125.170,
    "alpha": 104.43,
    "beta": 104.25,
    "gamma": 113.91
  },
  "wavelengths": [0.87230],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.92,2.87],
    "number_observations_unique": 115590,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "I/SigI",
        "value": 7.29
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 3.56
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,2.87],
      "number_observations_unique": 18262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.924
        },
        {
          "type": "CC(1/2)",
          "value": 0.688
        }
      ]
    }
  ]

}
  

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


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