Data quality metrics extracted from 6rrk.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": "456b316ae1671d6bf373297b7accc30a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.333,
    "b": 86.290,
    "c": 118.585,
    "alpha": 90.00,
    "beta": 95.36,
    "gamma": 90.00
  },
  "wavelengths": [0.96800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.67,3.17],
    "number_observations_unique": 24764,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(pim)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.39,3.17],
      "number_observations_unique": 4500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.391
        },
        {
          "type": "R(pim)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 2.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    }
  ]

}
  

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


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