Data quality metrics extracted from 1w6s.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": "78fa6d69564dd654c405b4ba3265d0e5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 62.90,
    "b": 73.62,
    "c": 88.08,
    "alpha": 86.09,
    "beta": 104.11,
    "gamma": 109.68
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.230],
    "number_observations_unique": 373341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10000
      },
      {
        "type": "I/SigI",
        "value": 2.3000
      },
      {
        "type": "Completeness",
        "value": 90.3
      },
      {
        "type": "Redundancy",
        "value": 2.000
      }
    ]
  }
}
  

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


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