Data quality metrics extracted from 5qxr.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": "73a332ff8ea9682c33b85040356433c4",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 80.81,
    "b": 80.81,
    "c": 140.09,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.92819],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.510,1.660],
    "number_observations": 609926,
    "number_observations_unique": 32740,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 18.600
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 18.600
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.700,1.660],
      "number_observations": 40651,
      "number_observations_unique": 2362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.320
        },
        {
          "type": "R(meas)",
          "value": 2.391
        },
        {
          "type": "R(pim)",
          "value": 0.573
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.512
        }
      ]
    },
    {
      "resolution_limits": [49.510,7.420],
      "number_observations": 7810,
      "number_observations_unique": 466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.021
        },
        {
          "type": "R(pim)",
          "value": 0.005
        },
        {
          "type": "I/SigI",
          "value": 89.100
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 16.800
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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