Data quality metrics extracted from 1f3h.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": "ce999693acb79c48bcc3dda3408b6e9c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.04,
    "b": 71.45,
    "c": 86.63,
    "alpha": 90.00,
    "beta": 133.37,
    "gamma": 90.00
  },
  "wavelengths": [1.28300,1.28260,1.12710],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.12,2.58],
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.58],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.388
        },
        {
          "type": "Completeness",
          "value": 95.5
        },
        {
          "type": "Redundancy",
          "value": 3.3
        }
      ]
    }
  ]

}
  

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


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