Data quality metrics extracted from 6boy.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": "b585e48bd5a198e2ba4417bd4dd81038",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 115.406,
    "b": 115.406,
    "c": 588.143,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.793,3.33],
    "number_observations_unique": 35541,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.179
      },
      {
        "type": "R(meas)",
        "value": 0.185
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 16.4
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 32.2
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.49,3.33],
      "number_observations_unique": 4600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.471
        },
        {
          "type": "R(meas)",
          "value": 5.632
        },
        {
          "type": "R(pim)",
          "value": 1.334
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 33.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.469
        }
      ]
    }
  ]

}
  

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


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