Data quality metrics extracted from 4lj1.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": "0f0a20e4a32fbdb5f889aba98db9c7d2",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 80.247,
    "b": 30.752,
    "c": 61.921,
    "alpha": 90.00,
    "beta": 120.85,
    "gamma": 90.00
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.16,1.17],
    "number_observations_unique": 43616,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.17],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [53.16,1.69],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    }
  ]

}
  

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


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