Data quality metrics extracted from 9x2d.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": "e0a90a8aedaeb64a481b102f21669541",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.050,
    "b": 74.653,
    "c": 95.908,
    "alpha": 85.01,
    "beta": 86.05,
    "gamma": 73.17
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.522,2.22],
    "number_observations_unique": 82126,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2457
      },
      {
        "type": "R(meas)",
        "value": 0.2947
      },
      {
        "type": "R(pim)",
        "value": 0.1603
      },
      {
        "type": "I/SigI",
        "value": 2.84
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.9587
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.22],
      "number_observations_unique": 6048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.4984
        },
        {
          "type": "R(meas)",
          "value": 1.8253
        },
        {
          "type": "R(pim)",
          "value": 1.0235
        },
        {
          "type": "Completeness",
          "value": 97.5
        },
        {
          "type": "Redundancy",
          "value": 3.04
        },
        {
          "type": "CC(1/2)",
          "value": 0.1393
        }
      ]
    }
  ]

}
  

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


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