Data quality metrics extracted from 6gkk.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": "f55e2c09f287f0d8e95c9c6ae20066ff",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.10,
    "b": 38.15,
    "c": 146.91,
    "alpha": 88.86,
    "beta": 84.64,
    "gamma": 76.59
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.76,1.858],
    "number_observations_unique": 66480,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "R(meas)",
        "value": 0.108
      },
      {
        "type": "I/SigI",
        "value": 13.76
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 6.819
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.858],
      "number_observations_unique": 4669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.111
        },
        {
          "type": "R(meas)",
          "value": 1.263
        },
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "Completeness",
          "value": 90.8
        },
        {
          "type": "Redundancy",
          "value": 4.216
        },
        {
          "type": "CC(1/2)",
          "value": 0.582
        }
      ]
    }
  ]

}
  

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


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