Data quality metrics extracted from 6v58.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": "653cf6cc6c7ee5abdca6f5e388561d49",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 39.068,
    "b": 39.068,
    "c": 113.331,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54060],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.78,2.20],
    "number_observations_unique": 3261,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.116
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 16.2
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.20],
      "number_observations_unique": 1210,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "R(meas)",
          "value": 0.408
        },
        {
          "type": "R(pim)",
          "value": 0.248
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.796
        }
      ]
    }
  ]

}
  

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


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