Data quality metrics extracted from 9t51.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": "f9eb5042dc08e677a3d165898c3e2858",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.631,
    "b": 55.509,
    "c": 105.016,
    "alpha": 90.000,
    "beta": 92.409,
    "gamma": 90.000
  },
  "wavelengths": [1.05960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.13,1.64],
    "number_observations_unique": 52984,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1866
      },
      {
        "type": "R(meas)",
        "value": 0.2017
      },
      {
        "type": "R(pim)",
        "value": 0.07584
      },
      {
        "type": "I/SigI",
        "value": 5.70
      },
      {
        "type": "Completeness",
        "value": 99.70
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.64],
      "number_observations_unique": 25942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1
        },
        {
          "type": "R(meas)",
          "value": 1
        },
        {
          "type": "R(pim)",
          "value": 0.6485
        },
        {
          "type": "I/SigI",
          "value": 0.49
        },
        {
          "type": "Completeness",
          "value": 99.87
        },
        {
          "type": "Redundancy",
          "value": 7
        },
        {
          "type": "CC(1/2)",
          "value": 0.372
        }
      ]
    }
  ]

}
  

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


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