Data quality metrics extracted from 6gn2.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": "fa659ede53872e97b4ca8f0ba78f7eec",
  "space_group_name": "H -3",
  "unit_cell": {
    "a": 105.413,
    "b": 105.413,
    "c": 56.131,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54170],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.91,2.48],
    "number_observations_unique": 8101,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0574
      },
      {
        "type": "R(meas)",
        "value": 0.08117
      },
      {
        "type": "I/SigI",
        "value": 10.71
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.57,2.48],
      "number_observations_unique": 729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4249
        },
        {
          "type": "R(meas)",
          "value": 0.6009
        },
        {
          "type": "I/SigI",
          "value": 2.02
        },
        {
          "type": "Completeness",
          "value": 89
        },
        {
          "type": "Redundancy",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.926
        }
      ]
    }
  ]

}
  

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


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