Data quality metrics extracted from 2xsr.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": "26578d514d6e413e13f91bd8d387c18b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 101.645,
    "b": 79.447,
    "c": 83.530,
    "alpha": 90.0,
    "beta": 132.5,
    "gamma": 90.0
  },
  "wavelengths": [0.98100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.00,1.60],
    "number_observations_unique": 61576,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 15.20
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  }
}
  

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


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