Data quality metrics extracted from 5txj.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": "eff94b9ce39dbde4e277eba3a30366f5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 9.518,
    "b": 10.206,
    "c": 20.064,
    "alpha": 96.22,
    "beta": 92.41,
    "gamma": 85.32
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.000,1.100],
    "number_observations_unique": 2605,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06800
      },
      {
        "type": "I/SigI",
        "value": 14.7000
      },
      {
        "type": "Completeness",
        "value": 92.9
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  }
}
  

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


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