Data quality metrics extracted from 4liw.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": "2d94aa0ad56d2f7fa8428cdafaf5a00a",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 70.02,
    "b": 70.02,
    "c": 56.25,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.24,1.600],
    "number_observations_unique": 20387,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05500
      },
      {
        "type": "I/SigI",
        "value": 34.0700
      },
      {
        "type": "Completeness",
        "value": 98.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24400
        },
        {
          "type": "I/SigI",
          "value": 5.550
        },
        {
          "type": "Completeness",
          "value": 84.6
        }
      ]
    }
  ]

}
  

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


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