Data quality metrics extracted from 9azh.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": "61b66e82fdd8b531267c9720c4daa1fa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.727,
    "b": 117.377,
    "c": 121.125,
    "alpha": 117.139,
    "beta": 91.298,
    "gamma": 101.377
  },
  "wavelengths": [1.18157],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.74,2.04],
    "number_observations_unique": 177958,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.222
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 9.6
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.04],
      "number_observations_unique": 8535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.843
        },
        {
          "type": "R(pim)",
          "value": 0.390
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 94.6
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.696
        }
      ]
    }
  ]

}
  

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


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