Data quality metrics extracted from 7qr5.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": "e1953e8f272d3bae9a0a8b1a610bae7e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 178.307,
    "b": 66.968,
    "c": 187.724,
    "alpha": 90.000,
    "beta": 111.171,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.71,3.3],
    "number_observations_unique": 31161,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.51
      },
      {
        "type": "I/SigI",
        "value": 3.67
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.42,3.3],
      "number_observations_unique": 2977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.44
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 94.3
        },
        {
          "type": "Redundancy",
          "value": 5.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    }
  ]

}
  

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


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