Data quality metrics extracted from 7g9i.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": "dd68ae65b0d6230d6a164bef0ab7335a",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 70.675,
    "b": 70.675,
    "c": 195.449,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.720,2.200],
    "number_observations": 411384,
    "number_observations_unique": 25765,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.683
      },
      {
        "type": "R(meas)",
        "value": 0.705
      },
      {
        "type": "R(pim)",
        "value": 0.171
      },
      {
        "type": "I/SigI",
        "value": 5.500
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 16.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.320,2.200],
      "number_observations": 60663,
      "number_observations_unique": 3649,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 9.454
        },
        {
          "type": "R(meas)",
          "value": 9.739
        },
        {
          "type": "R(pim)",
          "value": 2.319
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 16.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.558
        }
      ]
    },
    {
      "resolution_limits": [97.720,6.960],
      "number_observations": 12708,
      "number_observations_unique": 963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 18.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 13.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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