Data quality metrics extracted from 6hh6.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": "4dbd71c7525831fc1ea82e6f63dc6d45",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.316,
    "b": 90.875,
    "c": 95.276,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91740],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.09,1.85],
    "number_observations_unique": 50546,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.221
      },
      {
        "type": "R(meas)",
        "value": 0.239
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 10.0
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.85],
      "number_observations_unique": 3055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.674
        },
        {
          "type": "R(meas)",
          "value": 2.916
        },
        {
          "type": "R(pim)",
          "value": 1.150
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 12.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.597
        }
      ]
    }
  ]

}
  

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


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