Data quality metrics extracted from 5v79.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": "0972db6fd777114a99a7949262393ae4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 95.364,
    "b": 85.621,
    "c": 83.865,
    "alpha": 90.00,
    "beta": 109.67,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.30,2.25],
    "number_observations_unique": 29678,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.19
      },
      {
        "type": "R(pim)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.25],
      "number_observations": 2754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.112
        },
        {
          "type": "R(pim)",
          "value": 0.447
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 7.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.865
        }
      ]
    }
  ]

}
  

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


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