Data quality metrics extracted from 7ia5.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": "4b28cd098b7793bbc0a73734cd75b5cc",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 42.671,
    "b": 42.671,
    "c": 217.064,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92134],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.270,2.030],
    "number_observations": 350111,
    "number_observations_unique": 13979,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.567
      },
      {
        "type": "R(meas)",
        "value": 0.579
      },
      {
        "type": "R(pim)",
        "value": 0.115
      },
      {
        "type": "I/SigI",
        "value": 6.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 25.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.140,2.030],
      "number_observations": 51850,
      "number_observations_unique": 1954,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 13.077
        },
        {
          "type": "R(pim)",
          "value": 2.535
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.460
        }
      ]
    },
    {
      "resolution_limits": [54.270,6.420],
      "number_observations": 10822,
      "number_observations_unique": 564,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 18.500
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 19.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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