Data quality metrics extracted from 35uc.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": "aacf0b6e6457a714d2e053c3fd52776f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.934,
    "b": 81.168,
    "c": 99.767,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.962,2.328],
    "number_observations": 115282,
    "number_observations_unique": 15538,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1311
      },
      {
        "type": "R(meas)",
        "value": 0.1413
      },
      {
        "type": "R(pim)",
        "value": 0.0516
      },
      {
        "type": "I/SigI",
        "value": 10.28
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 7.42
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      },
      {
        "type": "CompletenessAno",
        "value": 95.4
      },
      {
        "type": "RedundancyAno",
        "value": 3.98
      },
      {
        "type": "CC(ano)",
        "value": -0.158
      },
      {
        "type": "SigAno",
        "value": 0.703
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.368,2.328],
      "number_observations_unique": 794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.5088
        },
        {
          "type": "R(meas)",
          "value": 1.6193
        },
        {
          "type": "R(pim)",
          "value": 0.5796
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 7.57
        },
        {
          "type": "CC(1/2)",
          "value": 0.635
        }
      ]
    }
  ]

}
  

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


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