Data quality metrics extracted from 2a91.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": "783cb2a8ba8b160e717dd915ca957810",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 75.957,
    "b": 82.243,
    "c": 110.063,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.,2.5],
    "number_observations_unique": 22321,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.103
      },
      {
        "type": "Completeness",
        "value": 90.7
      },
      {
        "type": "Redundancy",
        "value": 7.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations_unique": 2256,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.741
        },
        {
          "type": "Completeness",
          "value": 75.4
        },
        {
          "type": "Redundancy",
          "value": 7.3
        }
      ]
    }
  ]

}
  

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


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