Data quality metrics extracted from 3lgg.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": "c44f80b02f6140a49fa9c28002847f33",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 63.249,
    "b": 72.993,
    "c": 80.537,
    "alpha": 113.55,
    "beta": 94.89,
    "gamma": 91.53
  },
  "wavelengths": [1.00900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.52,2.5],
    "number_observations_unique": 43967,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 9.794
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.5],
      "number_observations_unique": 6368,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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