Data quality metrics extracted from 8ruw.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": "368773822721dd0d2ffb7ebb83f660de",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 94.891,
    "b": 94.891,
    "c": 273.791,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03322],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.26,2.48],
    "number_observations": 684201,
    "number_observations_unique": 51921,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.196
      },
      {
        "type": "R(meas)",
        "value": 0.203
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 9.8
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.48],
      "number_observations": 101256,
      "number_observations_unique": 7472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.502
        },
        {
          "type": "R(meas)",
          "value": 1.561
        },
        {
          "type": "R(pim)",
          "value": 0.420
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Redundancy",
          "value": 13.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    }
  ]

}
  

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


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