Data quality metrics extracted from 6ykk.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": "274802748131a0a9942505c12fcc6ade",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.165,
    "b": 80.973,
    "c": 224.022,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [112.0110,2.2360],
    "number_observations_unique": 44350,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.207
      },
      {
        "type": "R(meas)",
        "value": 0.221
      },
      {
        "type": "R(pim)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 8.500
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 7.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.360,2.240],
      "number_observations": 53728,
      "number_observations_unique": 6359,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.448
        },
        {
          "type": "R(meas)",
          "value": 1.539
        },
        {
          "type": "R(pim)",
          "value": 0.518
        },
        {
          "type": "I/SigI",
          "value": 2.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.683
        }
      ]
    },
    {
      "resolution_limits": [112.010,7.070],
      "number_observations": 11357,
      "number_observations_unique": 1585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 19.900
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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