Data quality metrics extracted from 6gwi.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": "3176c8af4b2b3e9bb926cbad60420981",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.344,
    "b": 61.875,
    "c": 67.475,
    "alpha": 83.45,
    "beta": 82.58,
    "gamma": 72.52
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.92,2],
    "number_observations_unique": 54196,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.147
      },
      {
        "type": "R(pim)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 93.4
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2],
      "number_observations_unique": 3885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.429
        },
        {
          "type": "R(pim)",
          "value": 0.429
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 90.7
        },
        {
          "type": "Redundancy",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.831
        }
      ]
    }
  ]

}
  

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


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