Data quality metrics extracted from 1c90.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": "bd41d0b308db22ea1363baf4a045e317",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.959,
    "b": 54.355,
    "c": 47.632,
    "alpha": 89.68,
    "beta": 109.16,
    "gamma": 83.93
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.,2.1],
    "number_observations_unique": 27256,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "Completeness",
        "value": 87.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.2,2.1],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83.0
        }
      ]
    }
  ]

}
  

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


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