Data quality metrics extracted from 3lu8.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": "2f2f69701115a835c87b99b6aa25ffcd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.779,
    "b": 59.031,
    "c": 96.177,
    "alpha": 75.42,
    "beta": 88.06,
    "gamma": 76.91
  },
  "wavelengths": [0.91990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [93.25,2.60],
    "number_observations_unique": 37486,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 90.1
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.277
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 91.7
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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