Data quality metrics extracted from 2frs.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": "6f2268946ed5df0f6fa8f4654f000315",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.582,
    "b": 37.030,
    "c": 58.693,
    "alpha": 102.00,
    "beta": 106.12,
    "gamma": 93.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.51],
    "number_observations_unique": 39496,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 14.38
      },
      {
        "type": "Completeness",
        "value": 92.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.56,1.51],
      "number_observations_unique": 3188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "Completeness",
          "value": 75.0
        }
      ]
    }
  ]

}
  

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


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