Data quality metrics extracted from 9gso.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": "8b0d823729b911ec4a79168f0a7c3b66",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 46.828,
    "b": 59.678,
    "c": 67.288,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.648,1.615],
    "number_observations_unique": 24706,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 13.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.62],
      "number_observations_unique": 1069,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.97
        },
        {
          "type": "I/SigI",
          "value": 0.79
        },
        {
          "type": "CC(1/2)",
          "value": 0.142
        }
      ]
    },
    {
      "resolution_limits": [46.83,8.85],
      "number_observations_unique": 195,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.038
        }
      ]
    }
  ]

}
  

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


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