Data quality metrics extracted from 9isu.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": "c6d32e9c78e413ddef2e992aca4c95d8",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.90,
    "b": 148.32,
    "c": 65.33,
    "alpha": 90.00,
    "beta": 100.11,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.44,1.32],
    "number_observations_unique": 257607,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.136
      },
      {
        "type": "I/SigI",
        "value": 13.58
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 28.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.35,1.32],
      "number_observations_unique": 19032,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.932
        },
        {
          "type": "R(meas)",
          "value": 7.058
        },
        {
          "type": "I/SigI",
          "value": 1.45
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 28.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.579
        }
      ]
    }
  ]

}
  

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


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