Data quality metrics extracted from 1m54.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": "3d9f6a6bd9480790da3a5eeb15f46230",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 85.740,
    "b": 85.626,
    "c": 97.082,
    "alpha": 102.01,
    "beta": 101.53,
    "gamma": 112.60
  },
  "wavelengths": [1.74010,1.73720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.90],
    "number_observations_unique": 87507,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1400000
      },
      {
        "type": "I/SigI",
        "value": 9.2
      },
      {
        "type": "Completeness",
        "value": 83.2
      },
      {
        "type": "Redundancy",
        "value": 12
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.0,2.90],
      "number_observations_unique": 53028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4590000
        },
        {
          "type": "I/SigI",
          "value": 3
        },
        {
          "type": "Completeness",
          "value": 10.0
        },
        {
          "type": "Redundancy",
          "value": 10
        }
      ]
    }
  ]

}
  

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


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