Data quality metrics extracted from 6btg.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": "cbe673c16ae173617b3220a12703a0f7",
  "space_group_name": "P 4 21 2",
  "unit_cell": {
    "a": 105.104,
    "b": 105.104,
    "c": 49.366,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.981,1.698],
    "number_observations_unique": 31070,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06026
      },
      {
        "type": "R(meas)",
        "value": 0.0614
      },
      {
        "type": "I/SigI",
        "value": 41.77
      },
      {
        "type": "Completeness",
        "value": 99.83
      },
      {
        "type": "Redundancy",
        "value": 28.2
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.759,1.698],
      "number_observations_unique": 3017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5708
        },
        {
          "type": "R(meas)",
          "value": 0.0614
        },
        {
          "type": "I/SigI",
          "value": 6.74
        },
        {
          "type": "Completeness",
          "value": 98.43
        },
        {
          "type": "Redundancy",
          "value": 27.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.96
        }
      ]
    }
  ]

}
  

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


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