Data quality metrics extracted from 6qt5.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": "93c02a6a96414fa2b72efa2367ea0d85",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 36.931,
    "b": 36.931,
    "c": 162.485,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.40,1.800],
    "number_observations_unique": 3912,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "R(pim)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 2.600
      },
      {
        "type": "Completeness",
        "value": 92.200
      },
      {
        "type": "Redundancy",
        "value": 2.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.850,1.800],
      "number_observations_unique": 195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 13.527
        },
        {
          "type": "R(meas)",
          "value": 16.635
        },
        {
          "type": "R(pim)",
          "value": 9.499
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 57.500
        },
        {
          "type": "Redundancy",
          "value": 2.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.190
        }
      ]
    },
    {
      "resolution_limits": [31.380,7.840],
      "number_observations_unique": 63,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "R(pim)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 2.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.17],
      "number_observations_unique": 247,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.305
        },
        {
          "type": "R(pim)",
          "value": 0.711
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.491
        }
      ]
    },
    {
      "resolution_limits": [2.10,2.02],
      "number_observations_unique": 287,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 3.221
        },
        {
          "type": "R(pim)",
          "value": 1.258
        },
        {
          "type": "Completeness",
          "value": 98.3
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.216
        }
      ]
    }
  ]

}
  

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


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