Data quality metrics extracted from 8pum.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": "60c9961349e521fdf40f058d6a24c55a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 83.975,
    "b": 101.639,
    "c": 95.958,
    "alpha": 90.00,
    "beta": 116.14,
    "gamma": 90.00
  },
  "wavelengths": [0.87310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.07,2.60],
    "number_observations_unique": 21160,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.115
      },
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.72,2.60],
      "number_observations_unique": 2662,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.786
        }
      ]
    }
  ]

}
  

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


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