Data quality metrics extracted from 1f1u.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": "b8c7874c400e247db96bfbd59c473d97",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 137.80,
    "b": 59.04,
    "c": 102.25,
    "alpha": 90.0,
    "beta": 119.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.5],
    "number_observations_unique": 111428,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 22
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 3.04
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.51],
      "number_observations_unique": 21016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.271
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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