Data quality metrics extracted from 4r61.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": "71144496c9d55cdd94c5a17067e3c9d9",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 57.956,
    "b": 57.956,
    "c": 257.671,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96869,0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.8,3.100],
    "number_observations_unique": 3278,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 130.8
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 8.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.310,3.100],
      "number_observations": 4637,
      "number_observations_unique": 582,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.327
        },
        {
          "type": "I/SigI",
          "value": 41.9
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.0
        }
      ]
    },
    {
      "resolution_limits": [19.800,8.770],
      "number_observations": 1430,
      "number_observations_unique": 158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 357.2
        },
        {
          "type": "Completeness",
          "value": 91.7
        },
        {
          "type": "Redundancy",
          "value": 9.1
        }
      ]
    }
  ]

}
  

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


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