Data quality metrics extracted from 6f3q.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": "2beb731b599a5ab553f270f798dd731c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 170.492,
    "b": 99.442,
    "c": 111.714,
    "alpha": 90.00,
    "beta": 101.93,
    "gamma": 90.00
  },
  "wavelengths": [0.80770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.45],
    "number_observations_unique": 318355,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 16.6
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.54,1.45],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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