Data quality metrics extracted from 6u6y.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": "74e3e57b6b871896a8b1c6c328ade04c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.34,
    "b": 183.62,
    "c": 81.56,
    "alpha": 90.00,
    "beta": 100.85,
    "gamma": 90.00
  },
  "wavelengths": [0.97919],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.96,2.47],
    "number_observations_unique": 79766,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "R(pim)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.53,2.47],
      "number_observations_unique": 5855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.637
        },
        {
          "type": "R(pim)",
          "value": 0.995
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.499
        }
      ]
    }
  ]

}
  

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


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