Data quality metrics extracted from 9guy.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": "dbb81edfc70cf25574df7d9b16a3f2a4",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 167.61,
    "b": 167.61,
    "c": 51.64,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03321],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.96,2.1],
    "number_observations_unique": 47725,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2707
      },
      {
        "type": "R(meas)",
        "value": 0.2887
      },
      {
        "type": "R(pim)",
        "value": 0.09953
      },
      {
        "type": "I/SigI",
        "value": 5.81
      },
      {
        "type": "Completeness",
        "value": 97.93
      },
      {
        "type": "Redundancy",
        "value": 8.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.1],
      "number_observations_unique": 4740,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.652
        },
        {
          "type": "R(meas)",
          "value": 2.825
        },
        {
          "type": "R(pim)",
          "value": 0.9674
        },
        {
          "type": "I/SigI",
          "value": 0.49
        },
        {
          "type": "Completeness",
          "value": 97.57
        },
        {
          "type": "Redundancy",
          "value": 8.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.256
        }
      ]
    }
  ]

}
  

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


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