Data quality metrics extracted from 5o75.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": "78cacc0f856e7f6f2ce0611ea01cd224",
  "space_group_name": "P 6 2 2",
  "unit_cell": {
    "a": 80.180,
    "b": 80.180,
    "c": 39.525,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97628],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.438,1.483],
    "number_observations_unique": 11868,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 27.9
      },
      {
        "type": "Completeness",
        "value": 91.9
      },
      {
        "type": "Redundancy",
        "value": 17
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.509,1.483],
      "number_observations_unique": 636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.194
        },
        {
          "type": "R(pim)",
          "value": 0.435
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 15.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.771
        }
      ]
    }
  ]

}
  

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


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