Data quality metrics extracted from 7riy.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": "84b9ecf28e2999350d4c7865e21c1ec5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 167.775,
    "b": 222.760,
    "c": 192.956,
    "alpha": 90.00,
    "beta": 100.54,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.533,3.630],
    "number_observations_unique": 78506,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.521
      },
      {
        "type": "R(meas)",
        "value": 0.559
      },
      {
        "type": "R(pim)",
        "value": 0.202
      },
      {
        "type": "I/SigI",
        "value": 4.500
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 7.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.700,3.630],
      "number_observations": 34030,
      "number_observations_unique": 4429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.075
        },
        {
          "type": "R(meas)",
          "value": 3.297
        },
        {
          "type": "R(pim)",
          "value": 1.186
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.288
        }
      ]
    },
    {
      "resolution_limits": [49.530,18.510],
      "number_observations": 3683,
      "number_observations_unique": 585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 19.900
        },
        {
          "type": "Completeness",
          "value": 94.000
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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