Data quality metrics extracted from 5xat.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": "dc42bef50f6d2060361231fe895ae0d9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 87.668,
    "b": 91.874,
    "c": 96.320,
    "alpha": 86.10,
    "beta": 82.22,
    "gamma": 69.66
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.41,3.76],
    "number_observations_unique": 26874,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.2
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.9,3.8],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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