Data quality metrics extracted from 9tmr.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": "34e2fc10ae1c03dda7693c11f2aa2d96",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 57.862,
    "b": 58.286,
    "c": 71.320,
    "alpha": 90.000,
    "beta": 98.917,
    "gamma": 90.000
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.20,1.90],
    "number_observations_unique": 18082,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.6
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.94,1.90],
      "number_observations_unique": 1068,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.343
        }
      ]
    }
  ]

}
  

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


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