Data quality metrics extracted from 7g80.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": "35f90f42b49a2bbd21192aa5f282e832",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 71.607,
    "b": 71.607,
    "c": 197.037,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.800,1.670],
    "number_observations": 1608590,
    "number_observations_unique": 60466,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.264
      },
      {
        "type": "R(meas)",
        "value": 0.269
      },
      {
        "type": "R(pim)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 8.400
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 26.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.700,1.670],
      "number_observations": 76533,
      "number_observations_unique": 2998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.424
        },
        {
          "type": "R(meas)",
          "value": 7.574
        },
        {
          "type": "R(pim)",
          "value": 1.486
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 25.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.497
        }
      ]
    },
    {
      "resolution_limits": [35.800,9.000],
      "number_observations": 9349,
      "number_observations_unique": 489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 55.100
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 19.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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