Data quality metrics extracted from 8ark.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": "b2286287e9d5dc0980856a94a1efb631",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 204.103,
    "b": 115.124,
    "c": 81.411,
    "alpha": 90.00,
    "beta": 101.92,
    "gamma": 90.00
  },
  "wavelengths": [0.97777],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.85,3.22],
    "number_observations_unique": 28601,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06332
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 94.47
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.33,3.22],
      "number_observations_unique": 2971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5775
        },
        {
          "type": "I/SigI",
          "value": 2.63
        },
        {
          "type": "Completeness",
          "value": 98.50
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.812
        }
      ]
    }
  ]

}
  

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


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