Data quality metrics extracted from 7ggw.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": "d3b0093bf55a0436667dcfb15d77f9d8",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.26,
    "b": 52.68,
    "c": 44.66,
    "alpha": 90.00,
    "beta": 102.85,
    "gamma": 90.00
  },
  "wavelengths": [0.91267],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.47,1.92],
    "number_observations": 65334,
    "number_observations_unique": 19543,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.257
      },
      {
        "type": "R(meas)",
        "value": 0.306
      },
      {
        "type": "R(pim)",
        "value": 0.165
      },
      {
        "type": "I/SigI",
        "value": 3.7
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.92],
      "number_observations": 4712,
      "number_observations_unique": 1428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.932
        },
        {
          "type": "R(meas)",
          "value": 2.314
        },
        {
          "type": "R(pim)",
          "value": 1.259
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.313
        }
      ]
    }
  ]

}
  

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


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