Data quality metrics extracted from 3sxl.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": "29b37dfbb581b47651dde6691e7cbdb0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.91,
    "b": 124.47,
    "c": 50.93,
    "alpha": 90.0,
    "beta": 120.0,
    "gamma": 90.0
  },
  "wavelengths": [1.06879,0.98001,0.97957,1.20000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.700],
    "number_observations_unique": 16847,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 13.4000
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 6.700
      }
    ]
  }
}
  

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


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