Data quality metrics extracted from 5tez.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": "23fefbb1b07b87c18e84b1bdbf5036cc",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 66.266,
    "b": 71.053,
    "c": 100.693,
    "alpha": 90.00,
    "beta": 96.22,
    "gamma": 90.00
  },
  "wavelengths": [0.97945],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.9240,1.520],
    "number_observations_unique": 136200,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.351
      },
      {
        "type": "I/SigI",
        "value": 5.600
      },
      {
        "type": "Completeness",
        "value": 95.600
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.550,1.520],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.812
        },
        {
          "type": "Completeness",
          "value": 44.300
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.069
        }
      ]
    },
    {
      "resolution_limits": [37.920,8.330],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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