Data quality metrics extracted from 3ecc.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": "08b2d7f6553a5fb193d04313fecda457",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 84.582,
    "b": 84.582,
    "c": 49.587,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11588],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.000,2.120],
    "number_observations_unique": 5408,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 5.70000
      },
      {
        "type": "I/SigI",
        "value": 11.6000
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.12],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.59700
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Redundancy",
          "value": 2.70
        }
      ]
    }
  ]

}
  

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


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