Data quality metrics extracted from 7g98.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": "2e3b727538a6c47551ca3492e5e1d3dc",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 70.804,
    "b": 70.804,
    "c": 196.255,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [196.260,2.880],
    "number_observations": 207204,
    "number_observations_unique": 12087,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 2.857
      },
      {
        "type": "R(meas)",
        "value": 2.947
      },
      {
        "type": "R(pim)",
        "value": 0.708
      },
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 17.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.767
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.030,2.880],
      "number_observations": 27864,
      "number_observations_unique": 1714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 62.893
        },
        {
          "type": "R(pim)",
          "value": 15.647
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 16.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    },
    {
      "resolution_limits": [196.260,9.100],
      "number_observations": 5912,
      "number_observations_unique": 474,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 15.700
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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