Data quality metrics extracted from 8ipg.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": "0b8c2dee8600e017064fc779c5f56f4b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 71.387,
    "b": 41.609,
    "c": 85.309,
    "alpha": 90.00,
    "beta": 109.69,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.161,1.639],
    "number_observations_unique": 56809,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.125
      },
      {
        "type": "I/SigI",
        "value": 5.27
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.347
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.639],
      "number_observations_unique": 9187,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.049
        },
        {
          "type": "Completeness",
          "value": 91.7
        },
        {
          "type": "Redundancy",
          "value": 2.835
        },
        {
          "type": "CC(1/2)",
          "value": 0.447
        }
      ]
    }
  ]

}
  

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


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