Data quality metrics extracted from 9hhx.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "45200f3cdd6552bc9a05ba702daaf8db",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 84.365,
    "b": 84.365,
    "c": 198.320,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03329],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.58,2.62],
    "number_observations_unique": 24021,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.428
      },
      {
        "type": "R(meas)",
        "value": 0.475
      },
      {
        "type": "R(pim)",
        "value": 0.205
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 10.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.973
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [49.58,9.08],
      "number_observations_unique": 601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 27.1
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 10.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.62],
      "number_observations_unique": 2935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.114
        },
        {
          "type": "R(meas)",
          "value": 2.412
        },
        {
          "type": "R(pim)",
          "value": 1.147
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.314
        }
      ]
    }
  ]

}
  

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


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