Data quality metrics extracted from 6bms.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": "be94bbded9345900e2bd035d86b43ac5",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 186.402,
    "b": 186.402,
    "c": 90.177,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.44],
    "number_observations_unique": 58992,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "R(meas)",
        "value": 0.130
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 1.37
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 9.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.44],
      "number_observations_unique": 2697,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.176
        },
        {
          "type": "R(meas)",
          "value": 1.339
        },
        {
          "type": "R(pim)",
          "value": 0.618
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 9.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.225
        }
      ]
    }
  ]

}
  

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


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