Data quality metrics extracted from 6pqz.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": "ebd4c8269156adb7854b85fff0d23ab2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 59.308,
    "b": 98.284,
    "c": 143.229,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.2,2.23],
    "number_observations_unique": 40963,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.19
      },
      {
        "type": "R(pim)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 19.1
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.23],
      "number_observations_unique": 3755,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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