Data quality metrics extracted from 5ffh.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": "844c50d6a108ef0a3f29868e62adc65d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 29.964,
    "b": 35.914,
    "c": 64.568,
    "alpha": 90.63,
    "beta": 91.28,
    "gamma": 113.89
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.68],
    "number_observations_unique": 25558,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 20.43
      },
      {
        "type": "Completeness",
        "value": 91
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.68],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.486
        },
        {
          "type": "Completeness",
          "value": 70
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    }
  ]

}
  

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


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