Data quality metrics extracted from 6daf.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": "799e6867a354cf10f452bd6914d0621d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.355,
    "b": 121.309,
    "c": 125.897,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.678,2.4],
    "number_observations_unique": 39395,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 13.31
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.09
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.55,2.4],
      "number_observations_unique": 6345,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 2.43
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.55],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.94,2.72],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.22,2.94],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.59,3.22],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [4.15,3.59],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [5.07,4.15],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [7.12,5.07],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [43.678,7.12],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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