Data quality metrics extracted from 6syj.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": "056b778191b09febcf08db6826015ec9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 26.08,
    "b": 22.85,
    "c": 53.43,
    "alpha": 90.00,
    "beta": 103.83,
    "gamma": 90.00
  },
  "wavelengths": [0.82660],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.26,0.81],
    "number_observations_unique": 57795,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03824
      },
      {
        "type": "R(meas)",
        "value": 0.04171
      },
      {
        "type": "R(pim)",
        "value": 0.01637
      },
      {
        "type": "I/SigI",
        "value": 17.74
      },
      {
        "type": "Completeness",
        "value": 92.26
      },
      {
        "type": "Redundancy",
        "value": 6.1
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.839,0.81],
      "number_observations_unique": 3409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8166
        },
        {
          "type": "R(meas)",
          "value": 0.9748
        },
        {
          "type": "R(pim)",
          "value": 0.5215
        },
        {
          "type": "I/SigI",
          "value": 1.17
        },
        {
          "type": "Completeness",
          "value": 55.12
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.605
        }
      ]
    }
  ]

}
  

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


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