Data quality metrics extracted from 1a1i.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": "946da3a9fedec33e703d65e982218ed7",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 43.2,
    "b": 56.3,
    "c": 133.8,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.600],
    "number_observations_unique": 21212,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0490000
      },
      {
        "type": "I/SigI",
        "value": 27.8000
      },
      {
        "type": "Completeness",
        "value": 96.400
      },
      {
        "type": "Redundancy",
        "value": 2.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.600],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1090000
        },
        {
          "type": "I/SigI",
          "value": 9.200
        },
        {
          "type": "Completeness",
          "value": 89.90
        },
        {
          "type": "Redundancy",
          "value": 1.700
        }
      ]
    }
  ]

}
  

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


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