Data quality metrics extracted from 6hmb.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": "3715bc2859143f9ead8c260980cab982",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.35,
    "b": 47.72,
    "c": 50.42,
    "alpha": 113.08,
    "beta": 90.28,
    "gamma": 90.85
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.75,1.04],
    "number_observations_unique": 187923,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "R(meas)",
        "value": 0.07737
      },
      {
        "type": "R(pim)",
        "value": 0.03009
      },
      {
        "type": "I/SigI",
        "value": 11.75
      },
      {
        "type": "Completeness",
        "value": 98.33
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.077,1.04],
      "number_observations_unique": 18488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.286
        },
        {
          "type": "R(meas)",
          "value": 1.398
        },
        {
          "type": "R(pim)",
          "value": 0.5406
        },
        {
          "type": "I/SigI",
          "value": 1.50
        },
        {
          "type": "Completeness",
          "value": 96.75
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.576
        }
      ]
    }
  ]

}
  

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


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