Data quality metrics extracted from 6qgy.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": "daaa442211205dce7f5c9a61d3c030f1",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 99.709,
    "b": 86.664,
    "c": 125.027,
    "alpha": 90.00,
    "beta": 105.26,
    "gamma": 90.00
  },
  "wavelengths": [0.99998],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.484,2.509],
    "number_observations_unique": 69491,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 11.9
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.51],
      "number_observations_unique": 3901,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.973
        },
        {
          "type": "R(pim)",
          "value": 0.699
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 86.3
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    }
  ]

}
  

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


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