Data quality metrics extracted from 6g3t.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": "36dba9cf3b28f504f8233054a33bc660",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.178,
    "b": 88.091,
    "c": 79.988,
    "alpha": 90.00,
    "beta": 89.88,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.61,2.528],
    "number_observations_unique": 21054,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.135
      },
      {
        "type": "R(meas)",
        "value": 0.147
      },
      {
        "type": "R(pim)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 13.200
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.571,2.528],
      "number_observations_unique": 3076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.898
        },
        {
          "type": "R(meas)",
          "value": 0.976
        },
        {
          "type": "R(pim)",
          "value": 0.38
        },
        {
          "type": "I/SigI",
          "value": 2.342
        },
        {
          "type": "Completeness",
          "value": 69.500
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    }
  ]

}
  

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


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