Data quality metrics extracted from 25qb.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "2fc91d0c2d2aa99363236b22d82c087e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 123.24,
    "b": 163.79,
    "c": 170.54,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.49,2.99],
    "number_observations_unique": 70324,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "R(meas)",
        "value": 0.06505
      },
      {
        "type": "I/SigI",
        "value": 11.78
      },
      {
        "type": "Completeness",
        "value": 99.82
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.097,2.99],
      "number_observations_unique": 6939,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.7211
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    }
  ]

}
  

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


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