Data quality metrics extracted from 7q4n.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": "30bc84b421a32a5fa8c0a5564ec4d295",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 69.897,
    "b": 46.634,
    "c": 120.048,
    "alpha": 90.00,
    "beta": 98.25,
    "gamma": 90.00
  },
  "wavelengths": [0.97242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.450,3.030],
    "number_observations_unique": 7406,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.272
      },
      {
        "type": "R(meas)",
        "value": 0.315
      },
      {
        "type": "R(pim)",
        "value": 0.155
      },
      {
        "type": "I/SigI",
        "value": 4.500
      },
      {
        "type": "Completeness",
        "value": 97.000
      },
      {
        "type": "Redundancy",
        "value": 3.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.210,3.030],
      "number_observations": 4054,
      "number_observations_unique": 1092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.409
        },
        {
          "type": "R(meas)",
          "value": 1.623
        },
        {
          "type": "R(pim)",
          "value": 0.788
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 89.300
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    },
    {
      "resolution_limits": [43.410,9.090],
      "number_observations": 1036,
      "number_observations_unique": 298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "R(pim)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 10.300
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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