Data quality metrics extracted from 6d9m.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": "07c22e22e382f1193b6a29cf91b2c79a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 70.677,
    "b": 111.645,
    "c": 55.336,
    "alpha": 90.00,
    "beta": 122.75,
    "gamma": 90.00
  },
  "wavelengths": [1.11582,2.25418],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.750,1.350],
    "number_observations": 512201,
    "number_observations_unique": 77765,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "R(meas)",
        "value": 0.046
      },
      {
        "type": "R(pim)",
        "value": 0.017
      },
      {
        "type": "I/SigI",
        "value": 21.600
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.370,1.350],
      "number_observations": 8093,
      "number_observations_unique": 2643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "R(meas)",
          "value": 0.439
        },
        {
          "type": "R(pim)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 67.700
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.862
        }
      ]
    }
  ]

}
  

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


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