Data quality metrics extracted from 7g85.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": "5ee2696cb301b90966bfb0f991047363",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 71.502,
    "b": 71.502,
    "c": 196.526,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.190,1.740],
    "number_observations": 1329988,
    "number_observations_unique": 53846,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.438
      },
      {
        "type": "R(meas)",
        "value": 0.448
      },
      {
        "type": "R(pim)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 7.200
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 24.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.830,1.740],
      "number_observations": 194672,
      "number_observations_unique": 7711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "R(meas)",
          "value": 14.312
        },
        {
          "type": "R(pim)",
          "value": 2.809
        },
        {
          "type": "I/SigI",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.378
        }
      ]
    },
    {
      "resolution_limits": [67.190,5.490],
      "number_observations": 40020,
      "number_observations_unique": 1944,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "R(pim)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 25.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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