Data quality metrics extracted from 7qqv.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": "f8fb752d1a4db6bb2d0c63a7294d1436",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 179.019,
    "b": 67.145,
    "c": 187.767,
    "alpha": 90.000,
    "beta": 111.141,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.23,2.25],
    "number_observations_unique": 98463,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.25],
      "number_observations_unique": 9812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.71
        },
        {
          "type": "I/SigI",
          "value": 1
        },
        {
          "type": "Completeness",
          "value": 99
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.497
        }
      ]
    }
  ]

}
  

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


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