Data quality metrics extracted from 1r4l.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": "aba5518bb3da611e9c419ee2fe8c5a3f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.531,
    "b": 86.509,
    "c": 105.858,
    "alpha": 90.00,
    "beta": 103.65,
    "gamma": 90.00
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3],
    "number_observations_unique": 17526,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 13.2
      },
      {
        "type": "Completeness",
        "value": 95.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,3],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 2
        },
        {
          "type": "Completeness",
          "value": 74.5
        }
      ]
    }
  ]

}
  

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


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