Data quality metrics extracted from 7fh7.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": "e5e5a1bdec59e0dd9bdcfb022860b9df",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 60.61,
    "b": 78.37,
    "c": 127.00,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.30,1.42],
    "number_observations_unique": 113330,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1395
      },
      {
        "type": "R(meas)",
        "value": 0.1454
      },
      {
        "type": "R(pim)",
        "value": 0.04049
      },
      {
        "type": "I/SigI",
        "value": 14.23
      },
      {
        "type": "Completeness",
        "value": 98.78
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.42],
      "number_observations_unique": 11043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.455
        },
        {
          "type": "R(meas)",
          "value": 1.512
        },
        {
          "type": "R(pim)",
          "value": 0.4061
        },
        {
          "type": "I/SigI",
          "value": 2.04
        },
        {
          "type": "Completeness",
          "value": 97.43
        },
        {
          "type": "Redundancy",
          "value": 13.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.764
        }
      ]
    }
  ]

}
  

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


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