Data quality metrics extracted from 3dtj.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": "cad265f3189d9e063f77c48e14f7e5ec",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.603,
    "b": 51.675,
    "c": 51.797,
    "alpha": 109.94,
    "beta": 108.48,
    "gamma": 110.02
  },
  "wavelengths": [1.04400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.2,4],
    "number_observations_unique": 2160,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 62.2
      }
    ]
  }
}
  

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


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