Data quality metrics extracted from 1l2o.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": "45190912b0a9a98e96210207426ce1e8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.8,
    "b": 57.0,
    "c": 150.5,
    "alpha": 95.6,
    "beta": 96.3,
    "gamma": 101.5
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.0,2.8],
    "number_observations_unique": 29564,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0350000
      },
      {
        "type": "I/SigI",
        "value": 16.0
      },
      {
        "type": "Completeness",
        "value": 74.4
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.8],
      "number_observations_unique": 1584,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1530000
        },
        {
          "type": "Completeness",
          "value": 24.4
        }
      ]
    }
  ]

}
  

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


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