Data quality metrics extracted from 8pry.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": "94d3bf5c10ca4a63e412f79b124a747d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.779,
    "b": 89.321,
    "c": 97.155,
    "alpha": 117.35,
    "beta": 88.99,
    "gamma": 93.68
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.61,2.07],
    "number_observations_unique": 117172,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 93.84
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.07],
      "number_observations_unique": 4908,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.518
        }
      ]
    }
  ]

}
  

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


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