Data quality metrics extracted from 6oga.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": "c2ed3bd480eb4dd01965e55ec0519416",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.60,
    "b": 68.60,
    "c": 61.45,
    "alpha": 90.00,
    "beta": 99.82,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.3,1.6],
    "number_observations_unique": 54833,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07353
      },
      {
        "type": "R(meas)",
        "value": 0.08091
      },
      {
        "type": "R(pim)",
        "value": 0.03313
      },
      {
        "type": "I/SigI",
        "value": 13.38
      },
      {
        "type": "Completeness",
        "value": 98.33
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.6],
      "number_observations_unique": 5471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.092
        },
        {
          "type": "R(meas)",
          "value": 1.199
        },
        {
          "type": "R(pim)",
          "value": 0.4877
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "Completeness",
          "value": 98.75
        },
        {
          "type": "Redundancy",
          "value": 5.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.592
        }
      ]
    }
  ]

}
  

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


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