Data quality metrics extracted from 8q1o.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": "b38a4cc55fdfd48808aa24a222a13e6f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 133.194,
    "b": 43.854,
    "c": 86.384,
    "alpha": 90.000,
    "beta": 95.498,
    "gamma": 90.000
  },
  "wavelengths": [1.00470],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.993,3.40],
    "number_observations_unique": 7031,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.201
      },
      {
        "type": "R(meas)",
        "value": 0.278
      },
      {
        "type": "R(pim)",
        "value": 0.191
      },
      {
        "type": "I/SigI",
        "value": 5.2
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [42.99,9.00],
      "number_observations_unique": 408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "R(pim)",
          "value": 0.053
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.67,3.40],
      "number_observations_unique": 1431,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.643
        },
        {
          "type": "R(meas)",
          "value": 0.883
        },
        {
          "type": "R(pim)",
          "value": 0.603
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    }
  ]

}
  

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


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