Data quality metrics extracted from 9s9g.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "ae5ba1f3e4f4b0782881c612e28ae682",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 71.032,
    "b": 102.716,
    "c": 328.554,
    "alpha": 90.00,
    "beta": 92.35,
    "gamma": 90.00
  },
  "wavelengths": [0.97953],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [325.96,2.38],
    "number_observations": 4796820,
    "number_observations_unique": 183198,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 1.666
      },
      {
        "type": "R(meas)",
        "value": 1.711
      },
      {
        "type": "R(pim)",
        "value": 0.358
      },
      {
        "type": "I/SigI",
        "value": 1.5
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 26.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.672
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.51,2.38],
      "number_observations_unique": 25112,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 16.086
        },
        {
          "type": "R(pim)",
          "value": 3.780
        },
        {
          "type": "Redundancy",
          "value": 19.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.137
        }
      ]
    }
  ]

}
  

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


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