Data quality metrics extracted from 9lim.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": "7c9e48a46fd0f3124ea02b26d4ad5c08",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.992,
    "b": 113.502,
    "c": 193.144,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.86,2.32],
    "number_observations": 468188,
    "number_observations_unique": 42335,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.429
      },
      {
        "type": "R(meas)",
        "value": 0.450
      },
      {
        "type": "R(pim)",
        "value": 0.133
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 11.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.32],
      "number_observations": 68872,
      "number_observations_unique": 6068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.066
        },
        {
          "type": "R(meas)",
          "value": 4.256
        },
        {
          "type": "R(pim)",
          "value": 1.248
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 11.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.342
        }
      ]
    }
  ]

}
  

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


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