Data quality metrics extracted from 1d8a.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": "9552a2221bff3d8f9dd6621b9a7ea86b",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 80.6,
    "b": 80.6,
    "c": 327.6,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.48800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [999.0,2.2],
    "number_observations_unique": 153843,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0570000
      },
      {
        "type": "Completeness",
        "value": 78.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.18],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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