Data quality metrics extracted from 7neu.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": "43152022c89e37c0e9a5cadf956df9fd",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 99.42,
    "b": 157.35,
    "c": 64.08,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.06,2.80],
    "number_observations_unique": 12711,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.129
      },
      {
        "type": "I/SigI",
        "value": 14.48
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.01
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.87,2.80],
      "number_observations_unique": 1240,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.491
        },
        {
          "type": "I/SigI",
          "value": 3.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.001
        }
      ]
    }
  ]

}
  

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


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