Data quality metrics extracted from 6tq5.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": "66a0457bef5e74ebaeeb0a33014de293",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 76.115,
    "b": 113.136,
    "c": 124.206,
    "alpha": 90.00,
    "beta": 94.04,
    "gamma": 90.00
  },
  "wavelengths": [0.97264],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84,1.600],
    "number_observations_unique": 134154,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.170
      },
      {
        "type": "R(meas)",
        "value": 0.200
      },
      {
        "type": "R(pim)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 6.000
      },
      {
        "type": "Completeness",
        "value": 97.400
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.630,1.600],
      "number_observations": 23507,
      "number_observations_unique": 6625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.038
        },
        {
          "type": "R(meas)",
          "value": 1.228
        },
        {
          "type": "R(pim)",
          "value": 0.645
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.398
        }
      ]
    },
    {
      "resolution_limits": [45.540,8.760],
      "number_observations": 3248,
      "number_observations_unique": 872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.170
        },
        {
          "type": "R(pim)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 12.800
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    }
  ]

}
  

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


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