Data quality metrics extracted from 6ozj.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": "a62840410ecd2c0f7026cb2d21f6a917",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 72.341,
    "b": 73.582,
    "c": 154.187,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.920,2.250],
    "number_observations": 40002,
    "number_observations_unique": 40002,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.000
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.320,2.250],
      "number_observations": 3554,
      "number_observations_unique": 3554,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.100
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [48.920,8.990],
      "number_observations": 715,
      "number_observations_unique": 715,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 35.900
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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