Data quality metrics extracted from 9h9s.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": "762ba7d7f98578631cf79d7a322eeea3",
  "space_group_name": "F 2 3",
  "unit_cell": {
    "a": 159.95,
    "b": 159.95,
    "c": 159.95,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97626],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.23,2.01],
    "number_observations_unique": 22626,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1436
      },
      {
        "type": "R(meas)",
        "value": 0.1455
      },
      {
        "type": "R(pim)",
        "value": 0.02305
      },
      {
        "type": "I/SigI",
        "value": 19.10
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 38.4
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.082,2.01],
      "number_observations_unique": 2223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.947
        },
        {
          "type": "R(meas)",
          "value": 3.014
        },
        {
          "type": "R(pim)",
          "value": 0.6231
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "Completeness",
          "value": 98.93
        },
        {
          "type": "Redundancy",
          "value": 22.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    }
  ]

}
  

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


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