Data quality metrics extracted from 7iao.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": "a4bae6018218dbf990b6cb9ba6ff1b76",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 42.120,
    "b": 42.120,
    "c": 216.191,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92134],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.050,2.240],
    "number_observations": 251201,
    "number_observations_unique": 10299,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.635
      },
      {
        "type": "R(meas)",
        "value": 0.648
      },
      {
        "type": "R(pim)",
        "value": 0.130
      },
      {
        "type": "I/SigI",
        "value": 5.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 24.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.360,2.240],
      "number_observations": 35667,
      "number_observations_unique": 1451,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.175
        },
        {
          "type": "R(meas)",
          "value": 9.367
        },
        {
          "type": "R(pim)",
          "value": 1.867
        },
        {
          "type": "I/SigI",
          "value": 0.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.529
        }
      ]
    },
    {
      "resolution_limits": [54.050,7.070],
      "number_observations": 7509,
      "number_observations_unique": 421,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.119
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 16.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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