Data quality metrics extracted from 7n7i.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": "974143f3f0c0b8ae5c4cac4f14733861",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 85.943,
    "b": 85.943,
    "c": 111.718,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.140,3.190],
    "number_observations_unique": 15361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "R(meas)",
        "value": 0.409
      },
      {
        "type": "R(pim)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 8.46
      },
      {
        "type": "Completeness",
        "value": 98.800
      },
      {
        "type": "Redundancy",
        "value": 10.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.410,3.190],
      "number_observations_unique": 2598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.400
        },
        {
          "type": "R(meas)",
          "value": 1.18
        },
        {
          "type": "R(pim)",
          "value": 0.473
        },
        {
          "type": "Completeness",
          "value": 93.900
        },
        {
          "type": "Redundancy",
          "value": 9.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.616
        }
      ]
    },
    {
      "resolution_limits": [28.140,9.020],
      "number_observations_unique": 676,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.095
        },
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "R(pim)",
          "value": 0.030
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 10.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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