Data quality metrics extracted from 7qwa.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": "b1fbdf3d6973284d76780d306bd35f85",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 123.965,
    "b": 36.213,
    "c": 45.491,
    "alpha": 90.00,
    "beta": 96.74,
    "gamma": 90.00
  },
  "wavelengths": [0.86100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.55,1.54],
    "number_observations_unique": 30032,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2066
      },
      {
        "type": "R(meas)",
        "value": 0.2158
      },
      {
        "type": "R(pim)",
        "value": 06156
      },
      {
        "type": "I/SigI",
        "value": 5.73
      },
      {
        "type": "Completeness",
        "value": 99.74
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.595,1.54],
      "number_observations_unique": 2966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.243
        },
        {
          "type": "R(meas)",
          "value": 1.298
        },
        {
          "type": "R(pim)",
          "value": 0.3692
        },
        {
          "type": "I/SigI",
          "value": 0.39
        },
        {
          "type": "Completeness",
          "value": 99.66
        },
        {
          "type": "Redundancy",
          "value": 12.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.591
        }
      ]
    }
  ]

}
  

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


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