Data quality metrics extracted from 4toh.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": "b1d95f050d9517c3171a872b4caf3b43",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 153.993,
    "b": 153.993,
    "c": 155.200,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.73963],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.230,1.800],
    "number_observations": 1825740,
    "number_observations_unique": 99837,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "R(pim)",
        "value": 0.028
      },
      {
        "type": "I/SigI",
        "value": 22.300
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 18.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.800],
      "number_observations": 48010,
      "number_observations_unique": 4721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.313
        },
        {
          "type": "R(pim)",
          "value": 0.427
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 10.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    },
    {
      "resolution_limits": [48.230,9.860],
      "number_observations": 12803,
      "number_observations_unique": 739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "I/SigI",
          "value": 65.400
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 17.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 48.230 48.230
High resolution limit [Å] 1.800 9.860
R(merge) 0.1210 0.0770
R(pim) 0.0280 0.0180
CC(1/2) 0.999 0.997
Completeness [%] 99.7 99.2
Multiplicity 18.3 17.3


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
48.230-9.860 0.0770 0.0180 0.997 99.2 17.3
1.830-1.800 1.3130 0.4270 0.701 96.5 10.2