Data quality metrics extracted from 3al1.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": "30c6fb76b28c59fdc5a42d6b05be8602",
  "space_group_name": "P -1",
  "unit_cell": {
    "a": 20.544,
    "b": 20.859,
    "c": 26.055,
    "alpha": 101.16,
    "beta": 97.03,
    "gamma": 118.06
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [18.,0.75],
    "number_observations_unique": 33573,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 10.0000000
      },
      {
        "type": "I/SigI",
        "value": 10.6
      },
      {
        "type": "Completeness",
        "value": 71.5
      },
      {
        "type": "Redundancy",
        "value": 1.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.78,0.75],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 24.9
        },
        {
          "type": "Redundancy",
          "value": 1
        }
      ]
    }
  ]

}
  

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


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