Data quality metrics extracted from 7g96.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": "1579e365f962cb2e023a06b54475bebf",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 70.72,
    "b": 70.72,
    "c": 196.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.720,2.140],
    "number_observations": 740463,
    "number_observations_unique": 28461,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.507
      },
      {
        "type": "R(meas)",
        "value": 0.517
      },
      {
        "type": "R(pim)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 26.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.200,2.140],
      "number_observations": 55883,
      "number_observations_unique": 2047,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 15.137
        },
        {
          "type": "R(pim)",
          "value": 2.882
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 27.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.387
        }
      ]
    },
    {
      "resolution_limits": [70.720,9.570],
      "number_observations": 7131,
      "number_observations_unique": 414,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 20.400
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 17.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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