Data quality metrics extracted from 9qdi.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": "6fefb8d4f19fa24893ba738b6a772c53",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 99.294,
    "b": 99.435,
    "c": 103.386,
    "alpha": 74.16,
    "beta": 88.13,
    "gamma": 82.44
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.64,1.939],
    "number_observations_unique": 271117,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07842
      },
      {
        "type": "R(pim)",
        "value": 0.04963
      },
      {
        "type": "I/SigI",
        "value": 8.67
      },
      {
        "type": "Completeness",
        "value": 96.95
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.94],
      "number_observations_unique": 8246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9386
        },
        {
          "type": "R(pim)",
          "value": 0.587
        },
        {
          "type": "I/SigI",
          "value": 1.59
        },
        {
          "type": "Completeness",
          "value": 88.79
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.425
        }
      ]
    }
  ]

}
  

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


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