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

Data quality metrics extracted from 6v8f.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": "e97694bec354baf207af09150a94369e",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 190.489,
    "b": 190.489,
    "c": 115.184,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.2440,2.30],
    "number_observations_unique": 54953,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.6
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 32.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.3],
      "number_observations_unique": 4425,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    }
  ]

}

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

	Overall	InnerShell
Low resolution limit [Å]	95.244	2.370
High resolution limit [Å]	2.300	2.300
CC(1/2)	0.999	0.927
Completeness [%]	100.0	-
Multiplicity	32.4	-

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

Resolution [Å]			CC(1/2)
2.370	-	2.300	0.927