Data quality metrics extracted from 8bop.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": "8d94714edc17dacea9d725b7d0366313",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 119.817,
    "b": 177.601,
    "c": 234.886,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.37,2.73],
    "number_observations": 306220,
    "number_observations_unique": 66116,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.309
      },
      {
        "type": "R(meas)",
        "value": 0.346
      },
      {
        "type": "R(pim)",
        "value": 0.152
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.79,2.73],
      "number_observations": 17616,
      "number_observations_unique": 4113,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.615
        },
        {
          "type": "R(meas)",
          "value": 7.450
        },
        {
          "type": "R(pim)",
          "value": 3.332
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 4.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.171
        }
      ]
    }
  ]

}
  

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


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