Data quality metrics extracted from 1icp.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": "dc4402dd15f2d4f112563614f7e53fa4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.391,
    "b": 71.323,
    "c": 71.525,
    "alpha": 63.71,
    "beta": 83.85,
    "gamma": 77.36
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,1.9],
    "number_observations_unique": 66928,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0490000
      },
      {
        "type": "I/SigI",
        "value": 13.1
      },
      {
        "type": "Completeness",
        "value": 91.8
      },
      {
        "type": "Redundancy",
        "value": 1.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.90],
      "number_observations_unique": 5356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3430000
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 88.5
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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