Data quality metrics extracted from 34ak.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": "beb80400c63426d636202028bd08035b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.130,
    "b": 38.148,
    "c": 147.442,
    "alpha": 84.81,
    "beta": 88.81,
    "gamma": 76.76
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.95,2.05],
    "number_observations": 705898,
    "number_observations_unique": 50430,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.364
      },
      {
        "type": "R(meas)",
        "value": 0.378
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 14.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.05],
      "number_observations": 44976,
      "number_observations_unique": 3989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.936
        },
        {
          "type": "R(meas)",
          "value": 2.031
        },
        {
          "type": "R(pim)",
          "value": 0.603
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 11.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.740
        }
      ]
    }
  ]

}
  

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


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