Data quality metrics extracted from 1g2q.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": "366574fbe7ec2e0c1a3ac581e92a602d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.661,
    "b": 45.767,
    "c": 53.883,
    "alpha": 95.694,
    "beta": 108.403,
    "gamma": 109.585
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.50],
    "number_observations_unique": 54848,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0240000
      },
      {
        "type": "I/SigI",
        "value": 34.4
      },
      {
        "type": "Completeness",
        "value": 95.8
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "number_observations_unique": 5137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1760000
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 89.9
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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