Data quality metrics extracted from 9ihv.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": "2f8a9599013bd0c39c3b81fde537b14c",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 61.007,
    "b": 39.825,
    "c": 194.286,
    "alpha": 90.00,
    "beta": 95.82,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [193.29,1.78],
    "number_observations": 596482,
    "number_observations_unique": 89674,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.228
      },
      {
        "type": "R(meas)",
        "value": 0.248
      },
      {
        "type": "R(pim)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.78],
      "number_observations": 87356,
      "number_observations_unique": 12939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.272
        },
        {
          "type": "R(meas)",
          "value": 2.462
        },
        {
          "type": "R(pim)",
          "value": 0.939
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Redundancy",
          "value": 6.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.419
        }
      ]
    }
  ]

}
  

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


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