Data quality metrics extracted from 4pf0.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": "34db963f7e5a1d849432b134cfbb7071",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.098,
    "b": 100.960,
    "c": 104.176,
    "alpha": 90.00,
    "beta": 91.09,
    "gamma": 90.00
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.640],
    "number_observations_unique": 136258,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09600
      },
      {
        "type": "I/SigI",
        "value": 6.6000
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 4.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.64],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.44800
        },
        {
          "type": "Completeness",
          "value": 96.9
        },
        {
          "type": "Redundancy",
          "value": 3.10
        }
      ]
    }
  ]

}
  

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


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