Data quality metrics extracted from 3cia.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": "c40f05e68870b2cc34496667873eeb0c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 81.37,
    "b": 87.10,
    "c": 116.36,
    "alpha": 88.83,
    "beta": 70.68,
    "gamma": 88.43
  },
  "wavelengths": [0.97990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.70,2.70],
    "number_observations_unique": 74827,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "I/SigI",
        "value": 8.57
      },
      {
        "type": "Completeness",
        "value": 93.5
      },
      {
        "type": "Redundancy",
        "value": 2.29
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.800,2.700],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 67.1
        }
      ]
    }
  ]

}
  

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


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