Data quality metrics extracted from 9prr.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": "887d26febac7c2a575385cd5b445a0d6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 78.586,
    "b": 143.628,
    "c": 81.447,
    "alpha": 90.000,
    "beta": 109.777,
    "gamma": 90.000
  },
  "wavelengths": [0.91969],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.16,2.06],
    "number_observations_unique": 51376,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 91.69
      },
      {
        "type": "Redundancy",
        "value": 6.81
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.70,2.06],
      "number_observations_unique": 5703,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.670
        }
      ]
    }
  ]

}
  

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


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