Data quality metrics extracted from 1lj1.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": "a09c061d31f9432e98cc5a9574526650",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.971,
    "b": 88.280,
    "c": 90.087,
    "alpha": 90.00,
    "beta": 103.89,
    "gamma": 90.00
  },
  "wavelengths": [0.84590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.0],
    "number_observations_unique": 75611,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0720000
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 94.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations_unique": 7365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2260000
        },
        {
          "type": "I/SigI",
          "value": 2.49
        },
        {
          "type": "Completeness",
          "value": 92.8
        }
      ]
    }
  ]

}
  

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


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