Data quality metrics extracted from 6snk.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": "65bd701a370b5dafae7158ab9e39f3fe",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.639,
    "b": 40.538,
    "c": 57.114,
    "alpha": 83.342,
    "beta": 76.792,
    "gamma": 79.559
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.4523,2.20],
    "number_observations_unique": 15370,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.221
      },
      {
        "type": "R(meas)",
        "value": 0.267
      },
      {
        "type": "R(pim)",
        "value": 0.147
      },
      {
        "type": "I/SigI",
        "value": 0.939
      },
      {
        "type": "Completeness",
        "value": 96.5
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.270,2.200],
      "number_observations_unique": 1341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.240
        },
        {
          "type": "R(meas)",
          "value": 1.546
        },
        {
          "type": "R(pim)",
          "value": 0.903
        },
        {
          "type": "Completeness",
          "value": 96.500
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.225
        }
      ]
    },
    {
      "resolution_limits": [55.430,9.070],
      "number_observations_unique": 225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "R(pim)",
          "value": 0.094
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    }
  ]

}
  

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


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