Data quality metrics extracted from 6gre.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": "e1a131cd2de2361c3aad842e2109b8c4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.76,
    "b": 47.97,
    "c": 62.19,
    "alpha": 97.70,
    "beta": 102.72,
    "gamma": 99.86
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.77,1.29],
    "number_observations_unique": 108820,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "R(meas)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 12.56
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.32,1.29],
      "number_observations_unique": 7623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.10
        },
        {
          "type": "R(meas)",
          "value": 1.29
        },
        {
          "type": "I/SigI",
          "value": 1.13
        },
        {
          "type": "Completeness",
          "value": 89.4
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    }
  ]

}
  

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


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