Data quality metrics extracted from 3zm0.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": "39d09c9f7c2727912a3b6db5623d2e44",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.216,
    "b": 42.257,
    "c": 49.197,
    "alpha": 72.52,
    "beta": 81.63,
    "gamma": 74.73
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,1.50],
    "number_observations_unique": 40770,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 17.40
      },
      {
        "type": "Completeness",
        "value": 86.0
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "I/SigI",
          "value": 5.50
        },
        {
          "type": "Completeness",
          "value": 51.6
        }
      ]
    }
  ]

}
  

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


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