Data quality metrics extracted from 6ait.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": "ae4178184bb4e9804f343310077a9ba2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 85.844,
    "b": 104.674,
    "c": 104.971,
    "alpha": 113.61,
    "beta": 105.84,
    "gamma": 104.03
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.595,2.598],
    "number_observations_unique": 89522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1039
      },
      {
        "type": "R(meas)",
        "value": 0.1219
      },
      {
        "type": "R(pim)",
        "value": 0.06328
      },
      {
        "type": "I/SigI",
        "value": 8.88
      },
      {
        "type": "Completeness",
        "value": 98.24
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.691,2.598],
      "number_observations_unique": 8738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.218
        },
        {
          "type": "R(meas)",
          "value": 1.434
        },
        {
          "type": "R(pim)",
          "value": 0.7477
        },
        {
          "type": "Completeness",
          "value": 94.90
        },
        {
          "type": "Redundancy",
          "value": 3.6
        }
      ]
    }
  ]

}
  

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


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