Data quality metrics extracted from 8gng.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": "19bac167df0a3b91fef82714a718f1b6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 74.59,
    "b": 134.84,
    "c": 42.15,
    "alpha": 97.72,
    "beta": 91.44,
    "gamma": 89.38
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.570,3.200],
    "number_observations": 247473,
    "number_observations_unique": 26841,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.662
      },
      {
        "type": "R(meas)",
        "value": 0.701
      },
      {
        "type": "R(pim)",
        "value": 0.225
      },
      {
        "type": "I/SigI",
        "value": 3.900
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 9.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.924
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.420,3.200],
      "number_observations": 44239,
      "number_observations_unique": 4853,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.292
        },
        {
          "type": "R(meas)",
          "value": 2.429
        },
        {
          "type": "R(pim)",
          "value": 0.786
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.444
        }
      ]
    },
    {
      "resolution_limits": [49.570,9.050],
      "number_observations": 12057,
      "number_observations_unique": 1181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.188
        },
        {
          "type": "R(pim)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 10.000
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 10.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    }
  ]

}
  

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


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