Data quality metrics extracted from 6jqv.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": "3d1662889218047ad2468cbdfded6236",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 123.45,
    "b": 123.45,
    "c": 228.71,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.04,3.42],
    "number_observations_unique": 9304,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1281
      },
      {
        "type": "R(meas)",
        "value": 0.1342
      },
      {
        "type": "R(pim)",
        "value": 0.03955
      },
      {
        "type": "I/SigI",
        "value": 17.37
      },
      {
        "type": "Completeness",
        "value": 99.69
      },
      {
        "type": "Redundancy",
        "value": 11.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.544,3.422],
      "number_observations_unique": 914,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.3697
        },
        {
          "type": "I/SigI",
          "value": 2.31
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 12
        },
        {
          "type": "CC(1/2)",
          "value": 0.722
        }
      ]
    }
  ]

}
  

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


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