Data quality metrics extracted from 9iht.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": "210b9a4d16b22fc5ef36a0a943b1e0f4",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 60.931,
    "b": 40.109,
    "c": 195.144,
    "alpha": 90.0,
    "beta": 95.8,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.07,1.69],
    "number_observations": 550396,
    "number_observations_unique": 105855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.124
      },
      {
        "type": "R(pim)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 5.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.78,1.69],
      "number_observations": 71034,
      "number_observations_unique": 15318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.580
        },
        {
          "type": "R(meas)",
          "value": 1.768
        },
        {
          "type": "R(pim)",
          "value": 0.780
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Redundancy",
          "value": 4.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.470
        }
      ]
    }
  ]

}
  

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


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