Data quality metrics extracted from 4pfa.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": "04a3caa0d79131aac1c4292466068534",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.856,
    "b": 82.013,
    "c": 81.148,
    "alpha": 90.00,
    "beta": 100.77,
    "gamma": 90.00
  },
  "wavelengths": [0.99987],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.56],
    "number_observations_unique": 28265,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.93
      },
      {
        "type": "Completeness",
        "value": 95.2
      },
      {
        "type": "Redundancy",
        "value": 2.42
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.71,2.56],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "Completeness",
          "value": 80.3
        }
      ]
    }
  ]

}
  

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


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