Data quality metrics extracted from 5oc7.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": "6bc81d53b3649fa63dbb080deadcb53a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 29.683,
    "b": 62.606,
    "c": 67.378,
    "alpha": 62.74,
    "beta": 84.77,
    "gamma": 89.29
  },
  "wavelengths": [0.99987],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.68,1.652],
    "number_observations_unique": 49951,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03096
      },
      {
        "type": "R(meas)",
        "value": 0.03473
      },
      {
        "type": "R(pim)",
        "value": 0.01554
      },
      {
        "type": "I/SigI",
        "value": 23.01
      },
      {
        "type": "Completeness",
        "value": 97.13
      },
      {
        "type": "Redundancy",
        "value": 4.899
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.711,1.652],
      "number_observations_unique": 4899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6334
        },
        {
          "type": "R(meas)",
          "value": 0.7159
        },
        {
          "type": "R(pim)",
          "value": 0.3281
        },
        {
          "type": "Completeness",
          "value": 96.10
        }
      ]
    }
  ]

}
  

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


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