Data quality metrics extracted from 6ogh.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": "67b4be90432d8fcb3e51b220b7d35e98",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 55.964,
    "b": 42.843,
    "c": 49.320,
    "alpha": 90.00,
    "beta": 92.78,
    "gamma": 90.00
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.95,1.85],
    "number_observations_unique": 10076,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0651
      },
      {
        "type": "R(meas)",
        "value": 0.06736
      },
      {
        "type": "R(pim)",
        "value": 0.01717
      },
      {
        "type": "I/SigI",
        "value": 45.41
      },
      {
        "type": "Completeness",
        "value": 99.92
      },
      {
        "type": "Redundancy",
        "value": 15.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.916,1.85],
      "number_observations_unique": 987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.1101
        },
        {
          "type": "R(pim)",
          "value": 0.02926
        },
        {
          "type": "I/SigI",
          "value": 28.57
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 14
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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