Data quality metrics extracted from 28sv.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "bf637966b8b1199aa56e84f91248fe92",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 65.583,
    "b": 94.902,
    "c": 107.602,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56,2.21],
    "number_observations_unique": 34241,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2404
      },
      {
        "type": "R(pim)",
        "value": 0.1069
      },
      {
        "type": "I/SigI",
        "value": 6.13
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.466
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.21],
      "number_observations_unique": 2770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.621
        },
        {
          "type": "R(meas)",
          "value": 1.804
        },
        {
          "type": "R(pim)",
          "value": 0.7837
        },
        {
          "type": "I/SigI",
          "value": 0.94
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.403
        }
      ]
    }
  ]

}
  

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


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