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

Data quality metrics extracted from 1v8l.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": "9b2112cf62b3add9a0b888a423684626",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 49.771,
    "b": 49.771,
    "c": 119.330,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.01],
    "number_observations_unique": 11986,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "Completeness",
        "value": 99.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,2.01],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    }
  ]

}

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

	Overall	InnerShell
Low resolution limit [Å]	20.000	2.120
High resolution limit [Å]	2.010	2.010
R(merge)	0.0400	-
Completeness [%]	99.9	99.9

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

Resolution [Å]			Completeness [%]
2.120	-	2.010	99.9