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

Data quality metrics extracted from 6t10.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": "c77ab84bd9f7d1e288cf1d6d13974b26",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.742,
    "b": 103.524,
    "c": 42.189,
    "alpha": 90.000,
    "beta": 105.735,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.7,1.48],
    "number_observations_unique": 53460,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.72
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 3.43
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.48],
      "number_observations_unique": 8464,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.707
        }
      ]
    }
  ]

}

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

	Overall	InnerShell
Low resolution limit [Å]	40.700	1.570
High resolution limit [Å]	1.480	1.480
CC(1/2)	0.999	0.707
Completeness [%]	98.2	-
Multiplicity	3.4	-

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

Resolution [Å]			CC(1/2)
1.570	-	1.480	0.707