Data quality metrics extracted from 6e18.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": "468285b70055fb3227bfc0903f416598",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 125.62,
    "b": 125.62,
    "c": 367.88,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.130,2.600],
    "number_observations_unique": 53971,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0592
      },
      {
        "type": "R(meas)",
        "value": 0.406
      },
      {
        "type": "R(pim)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 8.200
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 19.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.670,2.600],
      "number_observations_unique": 3919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21346
        },
        {
          "type": "R(meas)",
          "value": 21.903
        },
        {
          "type": "R(pim)",
          "value": 4.863
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 19.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.244
        }
      ]
    },
    {
      "resolution_limits": [40.130,11.620],
      "number_observations_unique": 739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 15.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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