Data quality metrics extracted from 8j3o.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": "50cd2575ce75212eb5ccd59a5ba1da58",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.402,
    "b": 60.156,
    "c": 120.482,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 111.0
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.98,2.65],
    "number_observations": 134537,
    "number_observations_unique": 38451,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.222
      },
      {
        "type": "R(meas)",
        "value": 0.264
      },
      {
        "type": "R(pim)",
        "value": 0.141
      },
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.944
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.77,2.65],
      "number_observations": 17005,
      "number_observations_unique": 4684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.731
        },
        {
          "type": "R(meas)",
          "value": 0.859
        },
        {
          "type": "R(pim)",
          "value": 0.448
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.687
        }
      ]
    }
  ]

}
  

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


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