Data quality metrics extracted from 9g15.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": "e488d33d0d84759bad3298258fef4f78",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 50.528,
    "b": 40.427,
    "c": 60.663,
    "alpha": 90.0,
    "beta": 101.1,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.58,2.00],
    "number_observations_unique": 10310,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.145
      },
      {
        "type": "I/SigI",
        "value": 6.0
      },
      {
        "type": "Completeness",
        "value": 82.2
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.901
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.00],
      "number_observations_unique": 516,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.830
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 55.2
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.119
        }
      ]
    },
    {
      "resolution_limits": [49.58,6.35],
      "number_observations_unique": 514,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 14.2
        },
        {
          "type": "Completeness",
          "value": 93.1
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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