Data quality metrics extracted from 9h6k.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": "313766fa40fd8d3b424acc4963cef5d1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.100,
    "b": 134.922,
    "c": 86.584,
    "alpha": 90.000,
    "beta": 95.907,
    "gamma": 90.000
  },
  "wavelengths": [0.61990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.66,2.75],
    "number_observations_unique": 35584,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.186
      },
      {
        "type": "R(meas)",
        "value": 0.219
      },
      {
        "type": "R(pim)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 7.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [54.66,9.12],
      "number_observations_unique": 1015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 15.2
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.75],
      "number_observations_unique": 4565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.442
        },
        {
          "type": "R(meas)",
          "value": 1.742
        },
        {
          "type": "R(pim)",
          "value": 0.964
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 96.3
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    }
  ]

}
  

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


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