Data quality metrics extracted from 7ur2.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": "7be3a775c79dc4746043c76106942ab9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 72.16,
    "b": 82.42,
    "c": 83.27,
    "alpha": 81.09,
    "beta": 71.79,
    "gamma": 79.88
  },
  "wavelengths": [1.19500,0.97920,0.97930,0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.64,1.89],
    "number_observations_unique": 137673,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "R(meas)",
        "value": 0.063
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 31.6
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 18.3
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.92,1.89],
      "number_observations_unique": 6729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.294
        },
        {
          "type": "R(meas)",
          "value": 1.329
        },
        {
          "type": "R(pim)",
          "value": 0.303
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 94
        },
        {
          "type": "Redundancy",
          "value": 19
        },
        {
          "type": "CC(1/2)",
          "value": 0.907
        }
      ]
    }
  ]

}
  

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


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