Data quality metrics extracted from 6hmd.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": "0ccfb36f810689730db10ca57f0199b3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.89,
    "b": 45.82,
    "c": 48.52,
    "alpha": 113.02,
    "beta": 89.21,
    "gamma": 91.18
  },
  "wavelengths": [0.92004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.88,1.0],
    "number_observations_unique": 177359,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04708
      },
      {
        "type": "R(meas)",
        "value": 0.05476
      },
      {
        "type": "R(pim)",
        "value": 0.02787
      },
      {
        "type": "I/SigI",
        "value": 15.67
      },
      {
        "type": "Completeness",
        "value": 92.18
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.036,1],
      "number_observations_unique": 17032,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.028
        },
        {
          "type": "R(meas)",
          "value": 1.189
        },
        {
          "type": "R(pim)",
          "value": 0.5973
        },
        {
          "type": "I/SigI",
          "value": 1.36
        },
        {
          "type": "Completeness",
          "value": 88.55
        },
        {
          "type": "Redundancy",
          "value": 4.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    }
  ]

}
  

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


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