Data quality metrics extracted from 2x1h.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": "f49384841d1af8ff8d3d42b3f68ebe25",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.65,
    "b": 52.04,
    "c": 75.44,
    "alpha": 94.32,
    "beta": 91.44,
    "gamma": 102.24
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.50,1.75],
    "number_observations_unique": 64609,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 10.00
      },
      {
        "type": "Completeness",
        "value": 92.7
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.75],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58
        },
        {
          "type": "I/SigI",
          "value": 2.20
        },
        {
          "type": "Completeness",
          "value": 92.8
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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