Data quality metrics extracted from 5y25.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": "a9841ff6ad2d3d62abc1b20a969a6f71",
  "space_group_name": "I 2 3",
  "unit_cell": {
    "a": 148.291,
    "b": 148.291,
    "c": 148.291,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.6,3.1],
    "number_observations_unique": 10020,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "R(pim)",
        "value": 0.018
      },
      {
        "type": "I/SigI",
        "value": 54.39
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 21.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.15,3.10],
      "number_observations_unique": 502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.585
        },
        {
          "type": "R(pim)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 7.39
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 21.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    }
  ]

}
  

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


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