Data quality metrics extracted from 9aw7.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": "c301f13f76410a87bb3191482b3d161b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 134.620,
    "b": 299.912,
    "c": 144.663,
    "alpha": 90.000,
    "beta": 112.597,
    "gamma": 90.000
  },
  "wavelengths": [1.45800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.04,2.91],
    "number_observations": 1591363,
    "number_observations_unique": 228968,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.267
      },
      {
        "type": "R(meas)",
        "value": 0.289
      },
      {
        "type": "R(pim)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.96,2.91],
      "number_observations": 79070,
      "number_observations_unique": 11282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.526
        },
        {
          "type": "R(meas)",
          "value": 1.647
        },
        {
          "type": "R(pim)",
          "value": 0.617
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    }
  ]

}
  

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


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