Data quality metrics extracted from 4al8.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": "adb92e13bbf924d7582c721df105a060",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.401,
    "b": 60.603,
    "c": 62.833,
    "alpha": 93.32,
    "beta": 102.10,
    "gamma": 101.51
  },
  "wavelengths": [0.97500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.55],
    "number_observations_unique": 79666,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 39.70
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 7.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.49
        },
        {
          "type": "I/SigI",
          "value": 3.30
        },
        {
          "type": "Completeness",
          "value": 96.0
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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