Data quality metrics extracted from 7ge0.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": "fe01ffacc77f14b06f8b117fda8aaf41",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.833,
    "b": 53.322,
    "c": 44.444,
    "alpha": 90.00,
    "beta": 101.38,
    "gamma": 90.00
  },
  "wavelengths": [0.91255],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.77,1.70],
    "number_observations": 88818,
    "number_observations_unique": 28647,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "R(pim)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations": 3920,
      "number_observations_unique": 1467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.391
        },
        {
          "type": "R(meas)",
          "value": 1.735
        },
        {
          "type": "R(pim)",
          "value": 1.023
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.299
        }
      ]
    }
  ]

}
  

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


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