Data quality metrics extracted from 5ntw.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": "e3c5d023bc4dd141f4fe892f19722da9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 86.187,
    "b": 68.468,
    "c": 96.717,
    "alpha": 90.00,
    "beta": 110.32,
    "gamma": 90.00
  },
  "wavelengths": [0.99979],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.720,1.640],
    "number_observations_unique": 126901,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 13.700
      },
      {
        "type": "Completeness",
        "value": 98.000
      },
      {
        "type": "Redundancy",
        "value": 3.300
      }
    ]
  }
}
  

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


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