Data quality metrics extracted from 8orw.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": "19f4ddc0901bad527e439e4d19e81380",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.442,
    "b": 78.145,
    "c": 35.937,
    "alpha": 90.00,
    "beta": 97.44,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.34,2.95],
    "number_observations_unique": 4988,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3852
      },
      {
        "type": "R(meas)",
        "value": 0.4183
      },
      {
        "type": "R(pim)",
        "value": 0.161
      },
      {
        "type": "I/SigI",
        "value": 6.43
      },
      {
        "type": "Completeness",
        "value": 95.11
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.055,2.95],
      "number_observations_unique": 494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.025
        },
        {
          "type": "R(meas)",
          "value": 2.197
        },
        {
          "type": "R(pim)",
          "value": 0.8413
        },
        {
          "type": "I/SigI",
          "value": 0.77
        },
        {
          "type": "Completeness",
          "value": 93.23
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.455
        }
      ]
    }
  ]

}
  

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


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