Data quality metrics extracted from 7xie.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": "8bee89d8af658ba0cc4597c3a15c3a8b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 26.577,
    "b": 29.628,
    "c": 29.584,
    "alpha": 63.689,
    "beta": 78.160,
    "gamma": 78.185
  },
  "wavelengths": [0.95366],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.33,1.97],
    "number_observations_unique": 5377,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.63
      },
      {
        "type": "Completeness",
        "value": 96.63
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.97],
      "number_observations_unique": 521,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    }
  ]

}
  

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


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