Data quality metrics extracted from mmCIF - (by aB_cif2table1 from BUSTER, Global Phasing Ltd.)

Data quality metrics extracted from 3osy.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": "389c7148d97fbfe70a4226ba4b6b99f3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.288,
    "b": 75.121,
    "c": 125.153,
    "alpha": 90.00,
    "beta": 90.11,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.000,2.990],
    "number_observations_unique": 19755,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 93.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [65.00,2.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79.9
        }
      ]
    }
  ]

}

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

	Overall	InnerShell
Low resolution limit [Å]	65.000	65.000
High resolution limit [Å]	2.990	2.990
Completeness [%]	93.3	79.9

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

Resolution [Å]			Completeness [%]
65.000	-	2.990	79.9