Data quality metrics extracted from 6unp.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": "8e89a8022635f5ce6b0fe08c3955d611",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 138.497,
    "b": 138.497,
    "c": 109.992,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11110],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.99,2.3],
    "number_observations_unique": 54388,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "R(meas)",
        "value": 0.159
      },
      {
        "type": "R(pim)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 16.3
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 20.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.3],
      "number_observations_unique": 4391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.62
        },
        {
          "type": "R(meas)",
          "value": 2.752
        },
        {
          "type": "R(pim)",
          "value": 0.838
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 21
        },
        {
          "type": "CC(1/2)",
          "value": 0.65
        }
      ]
    }
  ]

}
  

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


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