Data quality metrics extracted from 7g9e.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": "48613621027421d197f457dd09900ac7",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 70.965,
    "b": 70.965,
    "c": 195.722,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.720,2.150],
    "number_observations": 336793,
    "number_observations_unique": 28098,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 3.511
      },
      {
        "type": "R(meas)",
        "value": 3.701
      },
      {
        "type": "R(pim)",
        "value": 1.124
      },
      {
        "type": "I/SigI",
        "value": 4.100
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 12.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.486
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.270,2.150],
      "number_observations": 45590,
      "number_observations_unique": 3958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.098
        },
        {
          "type": "R(meas)",
          "value": 125.574
        },
        {
          "type": "R(pim)",
          "value": 40.361
        },
        {
          "type": "I/SigI",
          "value": 0.500
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 11.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.450
        }
      ]
    },
    {
      "resolution_limits": [66.720,6.800],
      "number_observations": 10851,
      "number_observations_unique": 1055,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 14.000
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 10.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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