Data quality metrics extracted from 25pt.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "55302f016e70f2a840f817a0e3961ec4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.321,
    "b": 72.774,
    "c": 97.456,
    "alpha": 92.49,
    "beta": 91.33,
    "gamma": 95.17
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.40,1.65],
    "number_observations_unique": 355572,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 87.9
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "number_observations_unique": 32116,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.371
        }
      ]
    }
  ]

}
  

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


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