Data quality metrics extracted from 7z59.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": "f8675ad97e94b77f60c38a8f2ef0b4a1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.341,
    "b": 53.808,
    "c": 44.703,
    "alpha": 90.000,
    "beta": 100.649,
    "gamma": 90.000
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.695,2.00],
    "number_observations_unique": 18025,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.188
      },
      {
        "type": "R(meas)",
        "value": 0.208
      },
      {
        "type": "R(pim)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 10.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [55.69,8.94],
      "number_observations_unique": 2192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 10.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.05,2.00],
      "number_observations_unique": 14239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.066
        },
        {
          "type": "R(meas)",
          "value": 4.490
        },
        {
          "type": "R(pim)",
          "value": 1.893
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 10.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.211
        }
      ]
    }
  ]

}
  

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


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