Data quality metrics extracted from 6qh6.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": "03ac6a98f8f824f2c202a634f67fb05d",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 180.50,
    "b": 180.50,
    "c": 210.06,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.25200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91,5],
    "number_observations_unique": 15525,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.202
      },
      {
        "type": "R(meas)",
        "value": 0.247
      },
      {
        "type": "R(pim)",
        "value": 0.138
      },
      {
        "type": "I/SigI",
        "value": 3.6
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.942
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [5.59,5],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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