Data quality metrics extracted from 4iqb.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": "bd4a6394f6cf1855f95e1cd98c2d5c81",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.335,
    "b": 98.367,
    "c": 69.159,
    "alpha": 90.00,
    "beta": 111.77,
    "gamma": 90.00
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.3,1.13],
    "number_observations_unique": 228161,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.15,1.13],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.439
        },
        {
          "type": "I/SigI",
          "value": 2.01
        }
      ]
    }
  ]

}
  

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


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