Data quality metrics extracted from 8rkg.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": "fe9a0269fc197a976b7b230e4a70e839",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 88.21,
    "b": 70.31,
    "c": 149.86,
    "alpha": 90.000,
    "beta": 90.037,
    "gamma": 90.000
  },
  "wavelengths": [1.77120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.02,2.9],
    "number_observations_unique": 40766,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.233
      },
      {
        "type": "R(meas)",
        "value": 0.280
      },
      {
        "type": "R(pim)",
        "value": 0.154
      },
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.986,2.90],
      "number_observations_unique": 3372,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.11
        },
        {
          "type": "R(meas)",
          "value": 1.353
        },
        {
          "type": "R(pim)",
          "value": 0.765
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.32
        }
      ]
    }
  ]

}
  

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


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