Data quality metrics extracted from 1tjp.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": "a8a4b3ebf1d306ed8d320124c20a83a6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 183.0,
    "b": 59.5,
    "c": 67.3,
    "alpha": 90.0,
    "beta": 94.8,
    "gamma": 90.0
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.4],
    "number_observations_unique": 136709,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "Completeness",
        "value": 96.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.4
        }
      ]
    }
  ]

}
  

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


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