Data quality metrics extracted from 2aye.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": "45fa46879cbdd3bd610f5b781d4e1feb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 97.766,
    "b": 106.886,
    "c": 74.945,
    "alpha": 90.00,
    "beta": 121.68,
    "gamma": 90.00
  },
  "wavelengths": [1.28400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.65,2.30],
    "number_observations_unique": 26868,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 37.3
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 8.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations": 2181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 82.7
        },
        {
          "type": "Redundancy",
          "value": 7.300
        }
      ]
    }
  ]

}
  

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


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