Data quality metrics extracted from 9it1.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": "2797d45b77f532344d6abbcab380b7b0",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 68.2,
    "b": 68.2,
    "c": 78.7,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.60000,1.70000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.32,2.00],
    "number_observations": 30153,
    "number_observations_unique": 11359,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.251
      },
      {
        "type": "R(meas)",
        "value": 0.295
      },
      {
        "type": "R(pim)",
        "value": 0.147
      },
      {
        "type": "I/SigI",
        "value": 3.4
      },
      {
        "type": "Completeness",
        "value": 78.8
      },
      {
        "type": "Redundancy",
        "value": 2.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.839
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "number_observations": 1012,
      "number_observations_unique": 688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.586
        },
        {
          "type": "R(meas)",
          "value": 0.782
        },
        {
          "type": "R(pim)",
          "value": 0.512
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 1.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.666
        }
      ]
    }
  ]

}
  

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


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