Data quality metrics extracted from 6tpj.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": "a653e9b0c1b059984e33830ed56d955f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.325,
    "b": 76.247,
    "c": 82.737,
    "alpha": 89.99,
    "beta": 85.25,
    "gamma": 89.97
  },
  "wavelengths": [0.96861],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.695,2.74],
    "number_observations_unique": 23784,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.5
      },
      {
        "type": "Completeness",
        "value": 86.3
      },
      {
        "type": "Redundancy",
        "value": 1.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.974,2.76],
      "number_observations_unique": 1189,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.5
        }
      ]
    }
  ]

}
  

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


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