Data quality metrics extracted from 5qhl.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": "492f6ff6988f39fab64a66da69e3d53c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.73,
    "b": 74.39,
    "c": 63.16,
    "alpha": 90.00,
    "beta": 96.57,
    "gamma": 90.00
  },
  "wavelengths": [0.92819],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.960,1.680],
    "number_observations": 131307,
    "number_observations_unique": 39230,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.114
      },
      {
        "type": "R(pim)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 7.500
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.720,1.680],
      "number_observations": 9648,
      "number_observations_unique": 2907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.275
        },
        {
          "type": "R(meas)",
          "value": 1.523
        },
        {
          "type": "R(pim)",
          "value": 0.824
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.494
        }
      ]
    },
    {
      "resolution_limits": [47.960,7.510],
      "number_observations": 1489,
      "number_observations_unique": 432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "R(pim)",
          "value": 0.019
        },
        {
          "type": "I/SigI",
          "value": 29.200
        },
        {
          "type": "Completeness",
          "value": 93.300
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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