Data quality metrics extracted from 6par.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": "93f1de676b92d6cbaab1378e187fdb17",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 169.648,
    "b": 92.498,
    "c": 237.691,
    "alpha": 90.00,
    "beta": 110.34,
    "gamma": 90.00
  },
  "wavelengths": [0.97946,0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.619,3.35],
    "number_observations_unique": 98507,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.174
      },
      {
        "type": "R(meas)",
        "value": 0.189
      },
      {
        "type": "R(pim)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 9.43
      },
      {
        "type": "Completeness",
        "value": 97.85
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.47,3.35],
      "number_observations_unique": 9041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.768
        },
        {
          "type": "R(meas)",
          "value": 1.927
        },
        {
          "type": "R(pim)",
          "value": 0.754
        },
        {
          "type": "I/SigI",
          "value": 0.97
        },
        {
          "type": "Completeness",
          "value": 91.11
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.530
        }
      ]
    },
    {
      "resolution_limits": [3.67,3.60],
      "number_observations_unique": 4376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.942
        },
        {
          "type": "R(meas)",
          "value": 2.100
        },
        {
          "type": "R(pim)",
          "value": 0.787
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    }
  ]

}
  

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


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