Data quality metrics extracted from 6jmw.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": "3a2b10399de1ff7a8089702f730d5c8a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 59.032,
    "b": 148.362,
    "c": 63.524,
    "alpha": 90.00,
    "beta": 98.04,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.020,1.850],
    "number_observations_unique": 90862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10400
      },
      {
        "type": "I/SigI",
        "value": 10.6000
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 6.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.85],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.82400
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 7.10
        }
      ]
    }
  ]

}
  

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


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