Data quality metrics extracted from 1ai5.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": "b8a01e70fb012452eb1c2d6851fd4209",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.12,
    "b": 65.08,
    "c": 76.30,
    "alpha": 100.20,
    "beta": 111.44,
    "gamma": 105.81
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.12,2.36],
    "number_observations_unique": 34287,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0910000
      },
      {
        "type": "I/SigI",
        "value": 8.2
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3310000
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 93.4
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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