Data quality metrics extracted from 5lw2.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": "39db47b073a3b9c002ab902e725f5762",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 96.13,
    "b": 28.00,
    "c": 52.73,
    "alpha": 90.00,
    "beta": 104.53,
    "gamma": 90.00
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.527,1.750],
    "number_observations_unique": 14009,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1054
      },
      {
        "type": "I/SigI",
        "value": 8.85
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.813,1.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.654
        },
        {
          "type": "I/SigI",
          "value": 0.90
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.529
        }
      ]
    }
  ]

}
  

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


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