Data quality metrics extracted from 7huq.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": "1a64d5466621f1a01ea8428a54aba09f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 73.469,
    "b": 61.750,
    "c": 32.809,
    "alpha": 90.00,
    "beta": 92.78,
    "gamma": 90.00
  },
  "wavelengths": [0.92209],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.69,1.59],
    "number_observations": 69453,
    "number_observations_unique": 14776,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.050
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 16.2
      },
      {
        "type": "Completeness",
        "value": 74.5
      },
      {
        "type": "Redundancy",
        "value": 4.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.59],
      "number_observations": 793,
      "number_observations_unique": 636,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "R(meas)",
          "value": 0.460
        },
        {
          "type": "R(pim)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Redundancy",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.745
        }
      ]
    }
  ]

}
  

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


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