Data quality metrics extracted from 7riq.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": "2f032151152f7df97a1a1b79dd59e0e8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.849,
    "b": 223.467,
    "c": 193.032,
    "alpha": 90.0,
    "beta": 100.3,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.270,2.960],
    "number_observations": 1103679,
    "number_observations_unique": 145165,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.309
      },
      {
        "type": "R(meas)",
        "value": 0.331
      },
      {
        "type": "R(pim)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 7.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.010,2.960],
      "number_observations": 55348,
      "number_observations_unique": 7181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.687
        },
        {
          "type": "R(meas)",
          "value": 5.025
        },
        {
          "type": "R(pim)",
          "value": 1.807
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.272
        }
      ]
    },
    {
      "resolution_limits": [49.270,16.210],
      "number_observations": 5650,
      "number_observations_unique": 876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "R(pim)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 19.200
        },
        {
          "type": "Completeness",
          "value": 95.400
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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