Data quality metrics extracted from 7ad2.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": "d208c90ce4d61ba5a64f6cb7781c2aff",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 221.984,
    "b": 110.763,
    "c": 108.590,
    "alpha": 90.00,
    "beta": 117.98,
    "gamma": 90.00
  },
  "wavelengths": [0.97624],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.04,1.83],
    "number_observations_unique": 198119,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "R(pim)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.83],
      "number_observations_unique": 14473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58
        },
        {
          "type": "R(pim)",
          "value": 0.49
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 91.2
        },
        {
          "type": "Redundancy",
          "value": 3.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.54
        }
      ]
    }
  ]

}
  

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


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