Data quality metrics extracted from 7tle.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": "d1c63553e8554caa9283ce8e4c41adf3",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.78,
    "b": 50.66,
    "c": 89.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99988],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.31,1.98716752773],
    "number_observations_unique": 12881,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.4
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 11.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.98716752773],
      "number_observations_unique": 851,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    }
  ]

}
  

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


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