Data quality metrics extracted from 8ogg.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": "c1b2178fd662a6d2963e58c8490bb36d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.718,
    "b": 78.660,
    "c": 48.382,
    "alpha": 90.000,
    "beta": 97.788,
    "gamma": 90.000
  },
  "wavelengths": [0.96800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.97,1.76],
    "number_observations_unique": 29256,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.931
      },
      {
        "type": "I/SigI",
        "value": 3.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 26.23
      },
      {
        "type": "CC(1/2)",
        "value": 0.923
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [40.97,4.77],
      "number_observations_unique": 1509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.032
        },
        {
          "type": "I/SigI",
          "value": 12.88
        },
        {
          "type": "Redundancy",
          "value": 48.54
        },
        {
          "type": "CC(1/2)",
          "value": 0.906
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.76],
      "number_observations_unique": 1467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.930
        },
        {
          "type": "I/SigI",
          "value": 0.41
        },
        {
          "type": "Redundancy",
          "value": 19.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.431
        }
      ]
    }
  ]

}
  

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


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