Data quality metrics extracted from 3klz.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": "f61e7295a844d02da43c4316a5e6af5d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 99.779,
    "b": 100.456,
    "c": 192.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.500],
    "number_observations_unique": 62189,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.17000
      },
      {
        "type": "I/SigI",
        "value": 14.6000
      },
      {
        "type": "Redundancy",
        "value": 7.300
      }
    ]
  }
}
  

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


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