Data quality metrics extracted from 7s80.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": "e8dc6605e49d38e085c45332200e5c0f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.536,
    "b": 60.816,
    "c": 58.657,
    "alpha": 90.000,
    "beta": 100.519,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.9,1.4],
    "number_observations_unique": 55565,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06134
      },
      {
        "type": "R(meas)",
        "value": 0.06659
      },
      {
        "type": "R(pim)",
        "value": 0.02555
      },
      {
        "type": "I/SigI",
        "value": 12.83
      },
      {
        "type": "Completeness",
        "value": 98.09
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.4],
      "number_observations_unique": 5503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.209
        },
        {
          "type": "R(meas)",
          "value": 1.312
        },
        {
          "type": "R(pim)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 1.23
        },
        {
          "type": "Completeness",
          "value": 97.79
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    }
  ]

}
  

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


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