Data quality metrics extracted from 280d.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": "129700ab5b4c2d861f3cb5cbcc3c1ef1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 29.44,
    "b": 28.91,
    "c": 46.46,
    "alpha": 98.87,
    "beta": 72.95,
    "gamma": 96.16
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.000,2.400],
    "number_observations_unique": 5429,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0760000
      },
      {
        "type": "I/SigI",
        "value": 44.600
      },
      {
        "type": "Completeness",
        "value": 95.400
      },
      {
        "type": "Redundancy",
        "value": 4.900
      }
    ]
  }
}
  

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


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