Data quality metrics extracted from 6opb.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": "98c2a62d81d25962f9d6d3b32adef921",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 154.259,
    "b": 154.259,
    "c": 58.043,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.56,2.0],
    "number_observations_unique": 102184,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04284
      },
      {
        "type": "R(meas)",
        "value": 0.04836
      },
      {
        "type": "R(pim)",
        "value": 0.02153
      },
      {
        "type": "I/SigI",
        "value": 30.17
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.072,2.0],
      "number_observations_unique": 10406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1576
        },
        {
          "type": "R(meas)",
          "value": 0.2089
        },
        {
          "type": "R(pim)",
          "value": 0.1356
        },
        {
          "type": "I/SigI",
          "value": 6.42
        },
        {
          "type": "Completeness",
          "value": 99.62
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.916
        }
      ]
    }
  ]

}
  

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


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