Data quality metrics extracted from 7hsx.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": "d744411218f294b601320ca305691d3d",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 98.843,
    "b": 98.906,
    "c": 128.557,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.39,1.64],
    "number_observations": 1038423,
    "number_observations_unique": 77233,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.153
      },
      {
        "type": "R(meas)",
        "value": 0.159
      },
      {
        "type": "R(pim)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 9.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.64],
      "number_observations": 44290,
      "number_observations_unique": 3729,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.294
        },
        {
          "type": "R(meas)",
          "value": 3.442
        },
        {
          "type": "R(pim)",
          "value": 0.995
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Redundancy",
          "value": 11.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.315
        }
      ]
    }
  ]

}
  

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


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