Data quality metrics extracted from 26ao.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "bef0a9b265eecbada58f06e05355d64c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.914,
    "b": 39.199,
    "c": 61.618,
    "alpha": 78.04,
    "beta": 79.29,
    "gamma": 67.01
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.68,1.15],
    "number_observations": 346528,
    "number_observations_unique": 98202,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 7.7
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.962
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.17,1.15],
      "number_observations": 15038,
      "number_observations_unique": 4606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.040
        },
        {
          "type": "R(meas)",
          "value": 1.255
        },
        {
          "type": "R(pim)",
          "value": 0.689
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.470
        }
      ]
    }
  ]

}
  

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


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