Data quality metrics extracted from 7fhc.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": "468d3785b062a41d7f3f41be7990cdb7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.339,
    "b": 78.750,
    "c": 85.604,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.340,2.060],
    "number_observations": 252772,
    "number_observations_unique": 19285,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.340
      },
      {
        "type": "R(meas)",
        "value": 0.354
      },
      {
        "type": "R(pim)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 13.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.110,2.060],
      "number_observations_unique": 1457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.842
        },
        {
          "type": "R(meas)",
          "value": 1.919
        },
        {
          "type": "R(pim)",
          "value": 0.528
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 12.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.683
        }
      ]
    }
  ]

}
  

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


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