Data quality metrics extracted from 8wqk.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": "9f05e2cceaca8484c54289f651bdc5d8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.920,
    "b": 93.502,
    "c": 97.200,
    "alpha": 90.00,
    "beta": 97.37,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.12,2.52],
    "number_observations": 131448,
    "number_observations_unique": 25960,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.156
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 81.3
      },
      {
        "type": "Redundancy",
        "value": 5.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.962
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.65,2.52],
      "number_observations": 5161,
      "number_observations_unique": 2139,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.830
        },
        {
          "type": "R(meas)",
          "value": 1.081
        },
        {
          "type": "R(pim)",
          "value": 0.678
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 2.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.453
        }
      ]
    }
  ]

}
  

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


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