Data quality metrics extracted from 7otb.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": "8f74ae8db5a2b84aed7bedb9df43a38f",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 29.68,
    "b": 29.68,
    "c": 113.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.56040,1.77120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.29,1.6],
    "number_observations_unique": 140815,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1006
      },
      {
        "type": "R(meas)",
        "value": 0.1039
      },
      {
        "type": "R(pim)",
        "value": 0.02564
      },
      {
        "type": "I/SigI",
        "value": 14.35
      },
      {
        "type": "Completeness",
        "value": 99.70
      },
      {
        "type": "Redundancy",
        "value": 17
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.6],
      "number_observations_unique": 797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5729
        },
        {
          "type": "R(meas)",
          "value": 0.5988
        },
        {
          "type": "R(pim)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 2.39
        },
        {
          "type": "Completeness",
          "value": 98.15
        },
        {
          "type": "Redundancy",
          "value": 11.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    }
  ]

}
  

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


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