Data quality metrics extracted from 9tpy.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": "f2e6401d7b8bf589fe1cfc4b60f1151f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.9,
    "b": 126.6,
    "c": 155.1,
    "alpha": 84.5,
    "beta": 84.4,
    "gamma": 83.5
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.31,2.85],
    "number_observations_unique": 104620,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.2
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,2.85],
      "number_observations_unique": 949,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.441
        }
      ]
    }
  ]

}
  

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


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