Data quality metrics extracted from 4a3f.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": "c19aaaaaacb32f9b89e23584fe275a88",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 221.60,
    "b": 391.30,
    "c": 283.34,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,3.50],
    "number_observations_unique": 151373,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.68
      },
      {
        "type": "I/SigI",
        "value": 8.00
      },
      {
        "type": "Completeness",
        "value": 90.0
      },
      {
        "type": "Redundancy",
        "value": 3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.59,3.50],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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