Data quality metrics extracted from 6lir.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": "86c1bacbe8622b73a73f2b44535e05e0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.430,
    "b": 83.097,
    "c": 82.416,
    "alpha": 90.000,
    "beta": 117.716,
    "gamma": 90.000
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.091],
    "number_observations_unique": 54200,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 15.1
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 7.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.091],
      "number_observations_unique": 52151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.860
        },
        {
          "type": "I/SigI",
          "value": 3.263
        },
        {
          "type": "Completeness",
          "value": 97
        },
        {
          "type": "Redundancy",
          "value": 5.7
        }
      ]
    }
  ]

}
  

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


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