Data quality metrics extracted from 32xb.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": "da7e02557d926b22e48e376b03054f95",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.788,
    "b": 46.761,
    "c": 63.619,
    "alpha": 94.176,
    "beta": 91.610,
    "gamma": 118.887
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.75,1.48],
    "number_observations_unique": 67791,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "R(meas)",
        "value": 0.150
      },
      {
        "type": "I/SigI",
        "value": 4.22
      },
      {
        "type": "Completeness",
        "value": 90.4
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.48],
      "number_observations_unique": 9696,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.34
        },
        {
          "type": "R(meas)",
          "value": 1.897
        },
        {
          "type": "I/SigI",
          "value": 0.50
        },
        {
          "type": "Completeness",
          "value": 79.4
        },
        {
          "type": "Redundancy",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.223
        }
      ]
    }
  ]

}
  

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


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