Data quality metrics extracted from 5hql.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": "2f62d7fd8aa03f02f6142206cf076cfa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 74.443,
    "b": 100.491,
    "c": 103.965,
    "alpha": 108.13,
    "beta": 113.66,
    "gamma": 95.44
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.961,2.530],
    "number_observations": 214324,
    "number_observations_unique": 77023,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.170
      },
      {
        "type": "R(pim)",
        "value": 0.116
      },
      {
        "type": "I/SigI",
        "value": 4.300
      },
      {
        "type": "Completeness",
        "value": 90.100
      },
      {
        "type": "Redundancy",
        "value": 2.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.972
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.660,2.530],
      "number_observations": 26186,
      "number_observations_unique": 11013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.697
        },
        {
          "type": "R(pim)",
          "value": 0.536
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 88.300
        },
        {
          "type": "Redundancy",
          "value": 2.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.634
        }
      ]
    },
    {
      "resolution_limits": [92.340,7.990],
      "number_observations": 8392,
      "number_observations_unique": 2393,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(pim)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 11.500
        },
        {
          "type": "Completeness",
          "value": 89.200
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 87.961 92.340 92.340
High resolution limit [Å] 2.530 7.990 7.990
R(merge) 0.1700 0.0940 0.0940
R(pim) 0.1160 0.0600 0.0600
CC(1/2) 0.972 0.974 0.974
Completeness [%] 90.1 89.2 89.2
Multiplicity 2.8 3.5 3.5


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
92.340-7.990 0.0940 0.0600 0.974 89.2 3.5
2.660-2.530 0.6970 0.5360 0.634 88.3 2.4