Data quality metrics extracted from 3no0.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": "8132ec8c3c1687f577e3925c282c3ef6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.513,
    "b": 49.624,
    "c": 120.350,
    "alpha": 91.57,
    "beta": 99.75,
    "gamma": 113.48
  },
  "wavelengths": [1.10000,1.07100,1.21400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.851,1.300],
    "number_observations_unique": 208073,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 28.2
      },
      {
        "type": "Completeness",
        "value": 93.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.315,1.300],
      "number_observations_unique": 18736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 84.8
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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