Data quality metrics extracted from 9pi3.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": "59fe553e7ccac1d99334d0dc7b65a57b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 89.99,
    "b": 140.20,
    "c": 98.80,
    "alpha": 90.00,
    "beta": 111.06,
    "gamma": 90.00
  },
  "wavelengths": [0.92009],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [92.20,2.75],
    "number_observations_unique": 59439,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.238
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.75],
      "number_observations_unique": 4618,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.030
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    }
  ]

}
  

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


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