Data quality metrics extracted from 7os0.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": "db8c538f7f1d36e352e9cbff32da5bf6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 61.387,
    "b": 91.082,
    "c": 136.509,
    "alpha": 89.99,
    "beta": 103.69,
    "gamma": 97.65
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.120,2.20],
    "number_observations_unique": 141242,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 9.6
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,2.2],
      "number_observations_unique": 14010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.913
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        }
      ]
    }
  ]

}
  

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


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