Data quality metrics extracted from 9evo.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": "0440bab8471a7eb3f5a08370ee34d5ab",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.23,
    "b": 62.06,
    "c": 71.50,
    "alpha": 89.13,
    "beta": 89.90,
    "gamma": 83.92
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.06,2.10],
    "number_observations_unique": 37352,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.199
      },
      {
        "type": "R(meas)",
        "value": 0.268
      },
      {
        "type": "R(pim)",
        "value": 0.179
      },
      {
        "type": "I/SigI",
        "value": 4.3
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.902
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "number_observations_unique": 5400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.872
        },
        {
          "type": "R(meas)",
          "value": 1.183
        },
        {
          "type": "R(pim)",
          "value": 0.795
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.215
        }
      ]
    }
  ]

}
  

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


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