Data quality metrics extracted from 9h96.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": "38173ce2765bb528a1b4a749ebb0f24a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.294,
    "b": 47.709,
    "c": 50.359,
    "alpha": 66.37,
    "beta": 89.78,
    "gamma": 89.09
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.29,1.04],
    "number_observations_unique": 138075,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.144
      },
      {
        "type": "R(pim)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 73.6
      },
      {
        "type": "Redundancy",
        "value": 12.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.081,1.04],
      "number_observations_unique": 6904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.292
        },
        {
          "type": "R(meas)",
          "value": 2.413
        },
        {
          "type": "R(pim)",
          "value": 0.736
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.492
        }
      ]
    }
  ]

}
  

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


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