Data quality metrics extracted from 6g9f.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": "87c1b474baf099921c57deb9663436ec",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 125.078,
    "b": 182.875,
    "c": 74.767,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.005,2.35],
    "number_observations_unique": 35810,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1454
      },
      {
        "type": "R(meas)",
        "value": 0.1607
      },
      {
        "type": "R(pim)",
        "value": 0.06713
      },
      {
        "type": "I/SigI",
        "value": 7.87
      },
      {
        "type": "Completeness",
        "value": 98.67
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.434,2.35],
      "number_observations_unique": 3525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.546
        },
        {
          "type": "R(meas)",
          "value": 2.809
        },
        {
          "type": "R(pim)",
          "value": 1.167
        },
        {
          "type": "Completeness",
          "value": 95.57
        },
        {
          "type": "Redundancy",
          "value": 5.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.419
        }
      ]
    }
  ]

}
  

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


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