Data quality metrics extracted from 7gzo.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": "cc9243d21d4fe8f933d4013b817af1e8",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 89.061,
    "b": 89.061,
    "c": 39.572,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [89.061,1.2],
    "number_observations": 685490,
    "number_observations_unique": 79568,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.056
      },
      {
        "type": "R(pim)",
        "value": 0.017
      },
      {
        "type": "I/SigI",
        "value": 19.1
      },
      {
        "type": "Completeness",
        "value": 81.5
      },
      {
        "type": "Redundancy",
        "value": 8.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.271,1.2],
      "number_observations": 8205,
      "number_observations_unique": 3978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.396
        },
        {
          "type": "R(meas)",
          "value": 0.494
        },
        {
          "type": "R(pim)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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