Data quality metrics extracted from 8ia1.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": "2d39d8e56d920cb303996ead1766f695",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.093,
    "b": 81.553,
    "c": 88.489,
    "alpha": 110.847,
    "beta": 106.790,
    "gamma": 99.932
  },
  "wavelengths": [1.00010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.32,2.31],
    "number_observations_unique": 50682,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.1
      },
      {
        "type": "Completeness",
        "value": 89.19
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.31],
      "number_observations_unique": 2902,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.61
        },
        {
          "type": "CC(1/2)",
          "value": 0.76
        }
      ]
    }
  ]

}
  

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


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