Data quality metrics extracted from 7fh6.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": "f842ca0527f5e92a99e967abd471ceac",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 60.45,
    "b": 78.44,
    "c": 126.56,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.84,1.55],
    "number_observations_unique": 85729,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05068
      },
      {
        "type": "R(meas)",
        "value": 0.05289
      },
      {
        "type": "R(pim)",
        "value": 0.01487
      },
      {
        "type": "I/SigI",
        "value": 30.45
      },
      {
        "type": "Completeness",
        "value": 97.36
      },
      {
        "type": "Redundancy",
        "value": 11.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.55],
      "number_observations_unique": 6982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2124
        },
        {
          "type": "R(meas)",
          "value": 0.2364
        },
        {
          "type": "R(pim)",
          "value": 0.1013
        },
        {
          "type": "I/SigI",
          "value": 5.32
        },
        {
          "type": "Completeness",
          "value": 80.61
        },
        {
          "type": "Redundancy",
          "value": 5.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    }
  ]

}
  

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


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