Data quality metrics extracted from 6uqq.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": "e7db92fa29048b9fd1967b98b6f5e91b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.390,
    "b": 85.526,
    "c": 152.051,
    "alpha": 90.00,
    "beta": 90.97,
    "gamma": 90.00
  },
  "wavelengths": [0.96863],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.381,2.750],
    "number_observations_unique": 38827,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.197
      },
      {
        "type": "R(pim)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 5.700
      },
      {
        "type": "Completeness",
        "value": 94.800
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.870,2.750],
      "number_observations": 17068,
      "number_observations_unique": 4789,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.922
        },
        {
          "type": "R(meas)",
          "value": 1.080
        },
        {
          "type": "R(pim)",
          "value": 0.548
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.604
        }
      ]
    },
    {
      "resolution_limits": [61.380,9.530],
      "number_observations": 3302,
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 16.500
        },
        {
          "type": "Completeness",
          "value": 91.600
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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