Data quality metrics extracted from 6hve.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": "6f4d8a0d835bd6965894802f12b1ff85",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.14,
    "b": 63.60,
    "c": 74.49,
    "alpha": 101.43,
    "beta": 90.81,
    "gamma": 91.13
  },
  "wavelengths": [0.97790],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.9],
    "number_observations_unique": 57602,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.82
      },
      {
        "type": "Completeness",
        "value": 96.4
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0,1.9],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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